4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine

C17H35N — CID 43778905

IUPAC4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C(C)(C)CC)CC1)C(C)C
InChIInChI=1S/C17H35N/c1-7-16(13(3)4)18-15-11-9-14(10-12-15)17(5,6)8-2/h13-16,18H,7-12H2,1-6H3
InChIKeyHDRPDQBRAUUPNU-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine (PubChem CID 43778905) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
PubChem CID43778905
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C(C)(C)CC)CC1)C(C)C
InChIInChI=1S/C17H35N/c1-7-16(13(3)4)18-15-11-9-14(10-12-15)17(5,6)8-2/h13-16,18H,7-12H2,1-6H3
InChIKeyHDRPDQBRAUUPNU-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylpropyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64917545
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522
N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415159
N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43672319
N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43778904
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 29054019
N-(2-methylpentan-3-yl)oxolan-3-amine
CID 63335155
2-N,2-N,3-trimethyl-1-N-[4-(2-methylbutan-2-yl)cyclohexyl]butane-1,2-diamine
CID 43094810
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine (CID 43778905) is 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine is CCC(NC1CCC(C(C)(C)CC)CC1)C(C)C.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine?
The InChIKey is HDRPDQBRAUUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-7-16(13(3)4)18-15-11-9-14(10-12-15)17(5,6)8-2/h13-16,18H,7-12H2,1-6H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 43778905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).