4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine

C13H27N3 — CID 79731283

IUPAC4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCCN1CCC(CNC2CCC(N)CC2)C1
InChIInChI=1S/C13H27N3/c1-2-16-8-7-11(10-16)9-15-13-5-3-12(14)4-6-13/h11-13,15H,2-10,14H2,1H3
InChIKeyMTRHOVBSMDXJDE-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.19
Rot. Bonds4

About 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine

4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 79731283) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
PubChem CID79731283
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCCN1CCC(CNC2CCC(N)CC2)C1
InChIInChI=1S/C13H27N3/c1-2-16-8-7-11(10-16)9-15-13-5-3-12(14)4-6-13/h11-13,15H,2-10,14H2,1H3
InChIKeyMTRHOVBSMDXJDE-UHFFFAOYSA-N
XLogP1.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 60855683
N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 79731365
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
CID 102731045
N-[[1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513727
2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
CID 60885885
N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513271
N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63243855
N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511911
N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine
CID 79462149
N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63965430

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine (CID 79731283) is 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine is CCN1CCC(CNC2CCC(N)CC2)C1.
What is the InChIKey of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is MTRHOVBSMDXJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-16-8-7-11(10-16)9-15-13-5-3-12(14)4-6-13/h11-13,15H,2-10,14H2,1H3.
What are the key properties of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79731283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).