2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

C18H37N3 — CID 62993376

IUPAC2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCN1CCC(C(C)NCC(C)CN2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-4-9-20-12-7-18(8-13-20)17(3)19-14-16(2)15-21-10-5-6-11-21/h16-19H,4-15H2,1-3H3
InChIKeyZYLJNASBAWWBRK-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds8

About 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 62993376) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID62993376
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCN1CCC(C(C)NCC(C)CN2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-4-9-20-12-7-18(8-13-20)17(3)19-14-16(2)15-21-10-5-6-11-21/h16-19H,4-15H2,1-3H3
InChIKeyZYLJNASBAWWBRK-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993042
3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
CID 113492078
N-(1-cyclopropylethyl)-2-methyl-3-morpholin-4-ylpropan-1-amine
CID 115677223
1-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-amine
CID 54953008
3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106284532
N-(1-cyclopropylpropyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 64918005
2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
CID 43499437
N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952865
1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81396165
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
1-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-2-amine
CID 43307539
N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 62993376) is 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is CCCN1CCC(C(C)NCC(C)CN2CCCC2)CC1.
What is the InChIKey of 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is ZYLJNASBAWWBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-9-20-12-7-18(8-13-20)17(3)19-14-16(2)15-21-10-5-6-11-21/h16-19H,4-15H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 62993376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).