3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine

C10H23N3 — CID 115119915

IUPAC3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
SMILESCN(CC(N)CN)CC1CCCC1
InChIInChI=1S/C10H23N3/c1-13(8-10(12)6-11)7-9-4-2-3-5-9/h9-10H,2-8,11-12H2,1H3
InChIKeyQTYVEHZQGBVCHD-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.39
Rot. Bonds5

About 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine

3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine (PubChem CID 115119915) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
PubChem CID115119915
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine
SMILESCN(CC(N)CN)CC1CCCC1
InChIInChI=1S/C10H23N3/c1-13(8-10(12)6-11)7-9-4-2-3-5-9/h9-10H,2-8,11-12H2,1H3
InChIKeyQTYVEHZQGBVCHD-UHFFFAOYSA-N
XLogP0.39
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[cyclopentylmethyl(methyl)amino]butan-1-ol
CID 64897715
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142
methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
CID 63632179
N-(cyclobutylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 80544292
1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
CID 60985776
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine?
The IUPAC name of 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine (CID 115119915) is 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine.
What is the SMILES notation for 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine?
The canonical SMILES for 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine is CN(CC(N)CN)CC1CCCC1.
What is the InChIKey of 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine?
The InChIKey is QTYVEHZQGBVCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-13(8-10(12)6-11)7-9-4-2-3-5-9/h9-10H,2-8,11-12H2,1H3.
What are the key properties of 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine?
3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine has a molecular weight of 185.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopentylmethyl)-3-N-methylpropane-1,2,3-triamine is sourced from PubChem (CID 115119915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).