2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine

C15H31NO — CID 81300974

IUPAC2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
SMILESCC(C)OCCCNC1CCC(C)(C)CC1C
InChIInChI=1S/C15H31NO/c1-12(2)17-10-6-9-16-14-7-8-15(4,5)11-13(14)3/h12-14,16H,6-11H2,1-5H3
InChIKeyUCRHDWIRCSBFRB-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine

2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine (PubChem CID 81300974) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
PubChem CID81300974
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
SMILESCC(C)OCCCNC1CCC(C)(C)CC1C
InChIInChI=1S/C15H31NO/c1-12(2)17-10-6-9-16-14-7-8-15(4,5)11-13(14)3/h12-14,16H,6-11H2,1-5H3
InChIKeyUCRHDWIRCSBFRB-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
CID 107270331
2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43183143
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine
CID 103786997
2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 64774993
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
N-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]propane-1-sulfonamide
CID 86799939
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 81320617
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
CID 81320465

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine (CID 81300974) is 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine is CC(C)OCCCNC1CCC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The InChIKey is UCRHDWIRCSBFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)17-10-6-9-16-14-7-8-15(4,5)11-13(14)3/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 81300974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).