3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine

C31H64N6 — CID 146256250

IUPAC3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine
SMILESCCN(CCCC(CCN(C)C1CCN(C(C)C)C1)N1CCC(N(C)C)CC1)C1CCN(C(C)C)CC1
InChIInChI=1S/C31H64N6/c1-9-34(30-15-20-35(21-16-30)26(2)3)18-10-11-29(36-22-13-28(14-23-36)32(6)7)12-19-33(8)31-17-24-37(25-31)27(4)5/h26-31H,9-25H2,1-8H3
InChIKeyGZHRDTFHWHBEIO-UHFFFAOYSA-N
MW520.90 g/mol
LogP4.16
Rot. Bonds14

About 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine

3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine (PubChem CID 146256250) has the molecular formula C31H64N6 and a molecular weight of 520.90 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine
PubChem CID146256250
Molecular FormulaC31H64N6
Molecular Weight520.90 g/mol
Exact Mass520.52
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine
SMILESCCN(CCCC(CCN(C)C1CCN(C(C)C)C1)N1CCC(N(C)C)CC1)C1CCN(C(C)C)CC1
InChIInChI=1S/C31H64N6/c1-9-34(30-15-20-35(21-16-30)26(2)3)18-10-11-29(36-22-13-28(14-23-36)32(6)7)12-19-33(8)31-17-24-37(25-31)27(4)5/h26-31H,9-25H2,1-8H3
InChIKeyGZHRDTFHWHBEIO-UHFFFAOYSA-N
XLogP4.16
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.90
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 142371504
(3R)-N-(3-fluoropropyl)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 168724522
(3R)-N-ethyl-N-methyl-1-propan-2-ylpiperidin-3-amine
CID 164856684
(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
CID 166754113
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 59151326
ethane;4-methyl-1-propan-2-ylpiperidine;N,N,1-trimethylpiperidin-4-amine
CID 169134554
N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)thiohydroxylamine
CID 146606746
1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine
CID 176703303
N-(azetidin-3-yl)-N-ethyl-1-propan-2-ylpyrrolidin-3-amine
CID 66181848
N,N,1-tri(propan-2-yl)pyrrolidin-3-amine
CID 163258645
1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine
CID 177203992

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine (CID 146256250) is 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine is CCN(CCCC(CCN(C)C1CCN(C(C)C)C1)N1CCC(N(C)C)CC1)C1CCN(C(C)C)CC1.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine?
The InChIKey is GZHRDTFHWHBEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64N6/c1-9-34(30-15-20-35(21-16-30)26(2)3)18-10-11-29(36-22-13-28(14-23-36)32(6)7)12-19-33(8)31-17-24-37(25-31)27(4)5/h26-31H,9-25H2,1-8H3.
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine?
3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine has a molecular weight of 520.90 g/mol, XLogP of 4.16, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine is sourced from PubChem (CID 146256250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).