N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine

C18H36N2 — CID 63482113

IUPACN-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CN2CCCC2CC)C1
InChIInChI=1S/C18H36N2/c1-4-8-15-10-11-18(19-6-3)16(13-15)14-20-12-7-9-17(20)5-2/h15-19H,4-14H2,1-3H3
InChIKeyWQUWDUSLDBQFEB-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds7

About N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine

N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 63482113) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID63482113
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(CN2CCCC2CC)C1
InChIInChI=1S/C18H36N2/c1-4-8-15-10-11-18(19-6-3)16(13-15)14-20-12-7-9-17(20)5-2/h15-19H,4-14H2,1-3H3
InChIKeyWQUWDUSLDBQFEB-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl]piperidin-3-ol
CID 62608959
4-ethyl-2-[(2-ethylazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 104691985
2-(cyclopentylmethyl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63401306
[1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]piperidin-2-yl]methanol
CID 55094284
2-[(2-ethylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62615155
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
CID 113473890
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 62610219
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79310261

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine (CID 63482113) is N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(CN2CCCC2CC)C1.
What is the InChIKey of N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is WQUWDUSLDBQFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-8-15-10-11-18(19-6-3)16(13-15)14-20-12-7-9-17(20)5-2/h15-19H,4-14H2,1-3H3.
What are the key properties of N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine?
N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63482113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).