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

C12H27N3 — CID 115203898

IUPAC1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
SMILESCC(N)CCCNCC1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-11(13)5-3-7-14-9-12-6-4-8-15(2)10-12/h11-12,14H,3-10,13H2,1-2H3
InChIKeyMHRJKDFNPNAOID-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.05
Rot. Bonds6

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

1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine (PubChem CID 115203898) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
PubChem CID115203898
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
SMILESCC(N)CCCNCC1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-11(13)5-3-7-14-9-12-6-4-8-15(2)10-12/h11-12,14H,3-10,13H2,1-2H3
InChIKeyMHRJKDFNPNAOID-UHFFFAOYSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007547
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
1-N-(cyclopropylmethyl)hexane-1,5-diamine
CID 82853515
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
N-[(1-methylpiperidin-3-yl)methyl]pent-3-yn-1-amine
CID 104806624
N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173706
N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide
CID 62658117

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine (CID 115203898) is 1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine is CC(N)CCCNCC1CCCN(C)C1.
What is the InChIKey of 1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine?
The InChIKey is MHRJKDFNPNAOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(13)5-3-7-14-9-12-6-4-8-15(2)10-12/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine?
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 115203898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).