N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine

C16H32N2 — CID 62616394

IUPACN-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CN2CCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-7-14-8-9-16(17-4-2)15(12-14)13-18-10-5-6-11-18/h14-17H,3-13H2,1-2H3
InChIKeySMHBFPLJCHTPAZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds6

About N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine

N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine (PubChem CID 62616394) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
PubChem CID62616394
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CN2CCCC2)C1
InChIInChI=1S/C16H32N2/c1-3-7-14-8-9-16(17-4-2)15(12-14)13-18-10-5-6-11-18/h14-17H,3-13H2,1-2H3
InChIKeySMHBFPLJCHTPAZ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(ethylamino)-5-propylcyclohexyl]methyl]piperidin-3-ol
CID 62608959
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
CID 63482113
1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 62614801
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63401306
N,4-diethyl-2-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-amine
CID 55094286
N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 62610496
2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
CID 62614447
N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
CID 113473890
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 65282251

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine (CID 62616394) is N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine is CCCC1CCC(NCC)C(CN2CCCC2)C1.
What is the InChIKey of N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine?
The InChIKey is SMHBFPLJCHTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-7-14-8-9-16(17-4-2)15(12-14)13-18-10-5-6-11-18/h14-17H,3-13H2,1-2H3.
What are the key properties of N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine?
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62616394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).