1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine

C14H29N3 — CID 175787085

IUPAC1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCCCN1CCCC1
InChIInChI=1S/C14H29N3/c1-15-13-7-2-3-8-14(13)16-9-6-12-17-10-4-5-11-17/h13-16H,2-12H2,1H3
InChIKeyFFEWLMSITRZCKG-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.59
Rot. Bonds6

About 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine

1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine (PubChem CID 175787085) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine
PubChem CID175787085
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine
SMILESCNC1CCCCC1NCCCN1CCCC1
InChIInChI=1S/C14H29N3/c1-15-13-7-2-3-8-14(13)16-9-6-12-17-10-4-5-11-17/h13-16H,2-12H2,1H3
InChIKeyFFEWLMSITRZCKG-UHFFFAOYSA-N
XLogP1.59
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.59
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

2-(3-pyrrolidin-1-ylpropylamino)cycloheptan-1-ol
CID 55141909
2-methoxy-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43768293
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
CID 79956996
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 43181783
N-(3-pyrrolidin-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967685
2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
CID 64775564
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine
CID 113259931
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine (CID 175787085) is 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine is CNC1CCCCC1NCCCN1CCCC1.
What is the InChIKey of 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine?
The InChIKey is FFEWLMSITRZCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-15-13-7-2-3-8-14(13)16-9-6-12-17-10-4-5-11-17/h13-16H,2-12H2,1H3.
What are the key properties of 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine?
1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 175787085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).