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

C14H31N3 — CID 63234641

IUPAC1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
SMILESCNCCCC(C)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H31N3/c1-13(6-5-9-15-2)17(4)12-14-7-10-16(3)11-8-14/h13-15H,5-12H2,1-4H3
InChIKeyKZGDAQZBACTSPE-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

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

1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine (PubChem CID 63234641) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
PubChem CID63234641
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
SMILESCNCCCC(C)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H31N3/c1-13(6-5-9-15-2)17(4)12-14-7-10-16(3)11-8-14/h13-15H,5-12H2,1-4H3
InChIKeyKZGDAQZBACTSPE-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
CID 55174617
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine
CID 62431308
4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62411804
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 63274758
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentan-1-ol
CID 64790464
4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201
N-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83053845
4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 107402116
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
CID 64703591

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine (CID 63234641) is 1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine is CNCCCC(C)N(C)CC1CCN(C)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine?
The InChIKey is KZGDAQZBACTSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(6-5-9-15-2)17(4)12-14-7-10-16(3)11-8-14/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 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-methylpiperidin-4-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 63234641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).