2,4,4-trimethyl-N-propylcyclohexan-1-amine

C12H25N — CID 81308091

IUPAC2,4,4-trimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1C
InChIInChI=1S/C12H25N/c1-5-8-13-11-6-7-12(3,4)9-10(11)2/h10-11,13H,5-9H2,1-4H3
InChIKeyDXQYGUIFLPCTDV-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds3

About 2,4,4-trimethyl-N-propylcyclohexan-1-amine

2,4,4-trimethyl-N-propylcyclohexan-1-amine (PubChem CID 81308091) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-propylcyclohexan-1-amine
PubChem CID81308091
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,4,4-trimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1C
InChIInChI=1S/C12H25N/c1-5-8-13-11-6-7-12(3,4)9-10(11)2/h10-11,13H,5-9H2,1-4H3
InChIKeyDXQYGUIFLPCTDV-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine
CID 103786997
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
CID 81320465
5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
CID 107270331
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
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
2,4,4-trimethyl-N-(2-phenylsulfanylethyl)cyclohexan-1-amine
CID 81320792
2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
CID 81321368
2-(2,2-difluoroethoxy)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 82003841

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-propylcyclohexan-1-amine (CID 81308091) is 2,4,4-trimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-propylcyclohexan-1-amine?
The InChIKey is DXQYGUIFLPCTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-13-11-6-7-12(3,4)9-10(11)2/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-propylcyclohexan-1-amine?
2,4,4-trimethyl-N-propylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 81308091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).