1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine

C13H29N3 — CID 63232951

IUPAC1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
SMILESCCCC(N)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-4-5-13(14)11-16(3)10-12-6-8-15(2)9-7-12/h12-13H,4-11,14H2,1-3H3
InChIKeyKJNQSKFTYMXSBQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds6

About 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine

1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine (PubChem CID 63232951) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
PubChem CID63232951
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
SMILESCCCC(N)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-4-5-13(14)11-16(3)10-12-6-8-15(2)9-7-12/h12-13H,4-11,14H2,1-3H3
InChIKeyKJNQSKFTYMXSBQ-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
CID 64897294
4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
CID 63234503
2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
CID 106799840
3-amino-4-[cyclopentylmethyl(methyl)amino]butan-1-ol
CID 64897715
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
2-ethoxy-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276105
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine (CID 63232951) is 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine is CCCC(N)CN(C)CC1CCN(C)CC1.
What is the InChIKey of 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine?
The InChIKey is KJNQSKFTYMXSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-5-13(14)11-16(3)10-12-6-8-15(2)9-7-12/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine?
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 63232951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).