2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine

C17H35NO — CID 64767574

IUPAC2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)CCCOC
InChIInChI=1S/C17H35NO/c1-6-11-18-16-13-14(2)8-9-15(16)17(3,4)10-7-12-19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyTUHXXZAQHWGHKZ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds8

About 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine

2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine (PubChem CID 64767574) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
PubChem CID64767574
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)CCCOC
InChIInChI=1S/C17H35NO/c1-6-11-18-16-13-14(2)8-9-15(16)17(3,4)10-7-12-19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyTUHXXZAQHWGHKZ-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.24
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

2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
CID 64766423
N,5-dimethyl-2-(2-methyldecan-2-yl)cyclohexan-1-amine
CID 64764075
2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 62984825
2-(5-ethoxy-2-methylpentan-2-yl)-5-methylcyclohexan-1-amine
CID 65177960
N,5-dimethyl-2-(2-methylhept-6-en-2-yl)cyclohexan-1-amine
CID 64764257
5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine
CID 64766425
5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
CID 65102404
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
2-(2-cyclopropylethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 106200648
N-[[2-(3-methoxypropyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031362
5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine
CID 66272759
2-N,2-N-bis(2-methoxyethyl)-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64753309

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine (CID 64767574) is 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CCC1C(C)(C)CCCOC.
What is the InChIKey of 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine?
The InChIKey is TUHXXZAQHWGHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-11-18-16-13-14(2)8-9-15(16)17(3,4)10-7-12-19-5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine?
2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64767574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).