1-cyclohexyl-3-methoxy-3-methylpentan-2-amine

C13H27NO — CID 116757435

IUPAC1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
SMILESCCC(C)(OC)C(N)CC1CCCCC1
InChIInChI=1S/C13H27NO/c1-4-13(2,15-3)12(14)10-11-8-6-5-7-9-11/h11-12H,4-10,14H2,1-3H3
InChIKeyBJTILCGFEQYUME-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds5

About 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine

1-cyclohexyl-3-methoxy-3-methylpentan-2-amine (PubChem CID 116757435) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
PubChem CID116757435
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
SMILESCCC(C)(OC)C(N)CC1CCCCC1
InChIInChI=1S/C13H27NO/c1-4-13(2,15-3)12(14)10-11-8-6-5-7-9-11/h11-12H,4-10,14H2,1-3H3
InChIKeyBJTILCGFEQYUME-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838
1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
CID 116751802
1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
CID 103025087
1-cyclopentyl-3,3-difluorobutan-2-amine
CID 84656075
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024
1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
CID 103031159
3-methoxy-3-methyl-1-propan-2-yloxypentan-2-amine
CID 116757416
2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine
CID 116757406
(1-cyclobutyl-2-methoxy-2-methylbutyl)hydrazine
CID 105274552
1-cyclobutyl-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068981
1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197910
1-cyclopropyl-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 79064843

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine?
The IUPAC name of 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine (CID 116757435) is 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine is CCC(C)(OC)C(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine?
The InChIKey is BJTILCGFEQYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-13(2,15-3)12(14)10-11-8-6-5-7-9-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine?
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methoxy-3-methylpentan-2-amine is sourced from PubChem (CID 116757435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).