4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine

C14H29NO — CID 43177882

IUPAC4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOCC(C)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-11(10-16-5)15-13-8-6-12(7-9-13)14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyHIGFDLBRPAWFOO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds4

About 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine

4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine (PubChem CID 43177882) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
PubChem CID43177882
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOCC(C)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-11(10-16-5)15-13-8-6-12(7-9-13)14(2,3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyHIGFDLBRPAWFOO-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine (CID 43177882) is 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine is COCC(C)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
The InChIKey is HIGFDLBRPAWFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(10-16-5)15-13-8-6-12(7-9-13)14(2,3)4/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine?
4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43177882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).