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

C14H27N3 — CID 79458392

IUPAC1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCC2CCN(C3CC3)C2)C1
InChIInChI=1S/C14H27N3/c15-12-2-1-3-13(8-12)16-9-11-6-7-17(10-11)14-4-5-14/h11-14,16H,1-10,15H2
InChIKeyGKOMTNLHHXOVDM-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.33
Rot. Bonds4

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

1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine (PubChem CID 79458392) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
PubChem CID79458392
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
SMILESNC1CCCC(NCC2CCN(C3CC3)C2)C1
InChIInChI=1S/C14H27N3/c15-12-2-1-3-13(8-12)16-9-11-6-7-17(10-11)14-4-5-14/h11-14,16H,1-10,15H2
InChIKeyGKOMTNLHHXOVDM-UHFFFAOYSA-N
XLogP1.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 64623574
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine
CID 155891929
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine
CID 54920980
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81297545
N-[[1-(3-methylcyclopentyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 114546859
N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 64741079
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine
CID 65073267
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one
CID 63903892
N-[(1-cyclopropylpiperidin-4-yl)methyl]cyclopropanamine
CID 83907747
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658574
N-(cyclohexylmethyl)-1-cyclopropylpiperidin-3-amine
CID 83998678
[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
CID 112629420

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine (CID 79458392) is 1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine is NC1CCCC(NCC2CCN(C3CC3)C2)C1.
What is the InChIKey of 1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine?
The InChIKey is GKOMTNLHHXOVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c15-12-2-1-3-13(8-12)16-9-11-6-7-17(10-11)14-4-5-14/h11-14,16H,1-10,15H2.
What are the key properties of 1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine?
1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine has a molecular weight of 237.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).