1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine

C13H29N3 — CID 63274281

IUPAC1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
SMILESCNCCCC(C)N(C)CC1CCN(C)C1
InChIInChI=1S/C13H29N3/c1-12(6-5-8-14-2)16(4)11-13-7-9-15(3)10-13/h12-14H,5-11H2,1-4H3
InChIKeyYJVNXNXULWGGCH-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds7

About 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine

1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine (PubChem CID 63274281) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
PubChem CID63274281
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
SMILESCNCCCC(C)N(C)CC1CCN(C)C1
InChIInChI=1S/C13H29N3/c1-12(6-5-8-14-2)16(4)11-13-7-9-15(3)10-13/h12-14H,5-11H2,1-4H3
InChIKeyYJVNXNXULWGGCH-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-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

1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
CID 63234641
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 63274758
1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
CID 55174617
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanoate
CID 64705195
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998479
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine
CID 62431308
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62411804
2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 115255113

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine (CID 63274281) is 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine is CNCCCC(C)N(C)CC1CCN(C)C1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine?
The InChIKey is YJVNXNXULWGGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(6-5-8-14-2)16(4)11-13-7-9-15(3)10-13/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 63274281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).