N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine

C18H36N2 — CID 63469389

IUPACN-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)CC)CC1N1CCCC1C
InChIInChI=1S/C18H36N2/c1-6-18(4,5)15-10-11-16(19-7-2)17(13-15)20-12-8-9-14(20)3/h14-17,19H,6-13H2,1-5H3
InChIKeyXSBACXFNVWRNHQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds5

About N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine

N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine (PubChem CID 63469389) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine
PubChem CID63469389
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)CC)CC1N1CCCC1C
InChIInChI=1S/C18H36N2/c1-6-18(4,5)15-10-11-16(19-7-2)17(13-15)20-12-8-9-14(20)3/h14-17,19H,6-13H2,1-5H3
InChIKeyXSBACXFNVWRNHQ-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine
CID 63469025
2-(2,4-dimethylpiperidin-1-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63468218
2-(2-methylpyrrolidin-1-yl)-N,4-dipropylcyclohexan-1-amine
CID 63469567
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethylcyclopentan-1-amine
CID 65319332
N-ethyl-3-(2-methylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79644126
N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine
CID 80998653
2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63470296
N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine
CID 64674025
2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine
CID 114086633
1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 63468083
N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine
CID 104689498
2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 106588489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine (CID 63469389) is N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine is CCNC1CCC(C(C)(C)CC)CC1N1CCCC1C.
What is the InChIKey of N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine?
The InChIKey is XSBACXFNVWRNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-18(4,5)15-10-11-16(19-7-2)17(13-15)20-12-8-9-14(20)3/h14-17,19H,6-13H2,1-5H3.
What are the key properties of N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine?
N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylbutan-2-yl)-2-(2-methylpyrrolidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 63469389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).