N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C18H37N — CID 43672319

IUPACN-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCCC(CCC)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C18H37N/c1-6-9-16(10-7-2)19-17-13-11-15(12-14-17)18(4,5)8-3/h15-17,19H,6-14H2,1-5H3
InChIKeyXLGUQLKSHZHYNA-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.54
Rot. Bonds8

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

N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 43672319) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID43672319
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCCC(CCC)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C18H37N/c1-6-9-16(10-7-2)19-17-13-11-15(12-14-17)18(4,5)8-3/h15-17,19H,6-14H2,1-5H3
InChIKeyXLGUQLKSHZHYNA-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522
N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43778904
N-hexan-3-ylcyclopropanamine
CID 103920845
N-(1-cyclopropylpropyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64917545
4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 43778905
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402
N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415159
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
N-heptan-4-yl-1,1-dioxothian-4-amine
CID 43615035
N-octan-4-yl-4-propylcyclohexan-1-amine
CID 114138056
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
CID 22772497
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol
CID 83051969

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 43672319) is N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCCC(CCC)NC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is XLGUQLKSHZHYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-9-16(10-7-2)19-17-13-11-15(12-14-17)18(4,5)8-3/h15-17,19H,6-14H2,1-5H3.
What are the key properties of N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43672319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).