3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine

C18H37N — CID 112681988

IUPAC3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
SMILESCC(C)(C)CC(C)(C)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H37N/c1-15(2,3)12-18(8,9)19-14-10-16(4,5)13-17(6,7)11-14/h14,19H,10-13H2,1-9H3
InChIKeySZARTVGTWZQVCB-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds3

About 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine

3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine (PubChem CID 112681988) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
PubChem CID112681988
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
SMILESCC(C)(C)CC(C)(C)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H37N/c1-15(2,3)12-18(8,9)19-14-10-16(4,5)13-17(6,7)11-14/h14,19H,10-13H2,1-9H3
InChIKeySZARTVGTWZQVCB-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine (CID 112681988) is 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine is CC(C)(C)CC(C)(C)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
The InChIKey is SZARTVGTWZQVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-15(2,3)12-18(8,9)19-14-10-16(4,5)13-17(6,7)11-14/h14,19H,10-13H2,1-9H3.
What are the key properties of 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 112681988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).