N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C16H30N2 — CID 64741079

IUPACN-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCCC1CCCC(N2CCC(CNC3CC3)C2)C1
InChIInChI=1S/C16H30N2/c1-2-13-4-3-5-16(10-13)18-9-8-14(12-18)11-17-15-6-7-15/h13-17H,2-12H2,1H3
InChIKeyGKONDADJTXLJHZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds5

About N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 64741079) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID64741079
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCCC1CCCC(N2CCC(CNC3CC3)C2)C1
InChIInChI=1S/C16H30N2/c1-2-13-4-3-5-16(10-13)18-9-8-14(12-18)11-17-15-6-7-15/h13-17H,2-12H2,1H3
InChIKeyGKONDADJTXLJHZ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine
CID 54920980
1-[3-[(cyclopropylamino)methyl]cyclohexyl]-N-methylpyrrolidin-3-amine
CID 123171555
N-cyclopropyl-1-(3-ethylcyclohexyl)pyrrolidin-3-amine
CID 64748391
N-[[1-(3-methylcyclopentyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 114546859
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
3-ethyl-1-azabicyclo[5.2.0]nonane
CID 89423692
2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-ol
CID 114502422
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013
1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
CID 79458392
N-ethyl-3-(4-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 79630874
3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 79618405

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 64741079) is N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine is CCC1CCCC(N2CCC(CNC3CC3)C2)C1.
What is the InChIKey of N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is GKONDADJTXLJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-13-4-3-5-16(10-13)18-9-8-14(12-18)11-17-15-6-7-15/h13-17H,2-12H2,1H3.
What are the key properties of N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64741079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).