N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine

C14H29N — CID 64776068

IUPACN,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine
SMILESCNC(CC(C)(C)C)C1CCC(C)CC1
InChIInChI=1S/C14H29N/c1-11-6-8-12(9-7-11)13(15-5)10-14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyFTTLJZPHBOJFKL-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds3

About N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine

N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine (PubChem CID 64776068) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine
PubChem CID64776068
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine
SMILESCNC(CC(C)(C)C)C1CCC(C)CC1
InChIInChI=1S/C14H29N/c1-11-6-8-12(9-7-11)13(15-5)10-14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyFTTLJZPHBOJFKL-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine?
The IUPAC name of N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine (CID 64776068) is N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine is CNC(CC(C)(C)C)C1CCC(C)CC1.
What is the InChIKey of N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine?
The InChIKey is FTTLJZPHBOJFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11-6-8-12(9-7-11)13(15-5)10-14(2,3)4/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine?
N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine is sourced from PubChem (CID 64776068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).