(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine

C12H25NO — CID 104932362

IUPAC(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
SMILESCCC[C@H](N)C1(OC)CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-4-5-11(13)12(14-3)8-6-10(2)7-9-12/h10-11H,4-9,13H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyBXKXPBFBKHZDHN-CXQJBGSLSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds4

About (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine

(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine (PubChem CID 104932362) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
PubChem CID104932362
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
SMILESCCC[C@H](N)C1(OC)CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-4-5-11(13)12(14-3)8-6-10(2)7-9-12/h10-11H,4-9,13H2,1-3H3/t10?,11-,12?/m0/s1
InChIKeyBXKXPBFBKHZDHN-CXQJBGSLSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766098
4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 116766176
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine
CID 116766221
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766596
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
3-cyclopropyl-1-(1-methoxycyclohexyl)propan-1-amine
CID 116762659
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine?
The IUPAC name of (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine (CID 104932362) is (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine.
What is the SMILES notation for (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine?
The canonical SMILES for (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine is CCC[C@H](N)C1(OC)CCC(C)CC1.
What is the InChIKey of (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine?
The InChIKey is BXKXPBFBKHZDHN-CXQJBGSLSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-11(13)12(14-3)8-6-10(2)7-9-12/h10-11H,4-9,13H2,1-3H3/t10?,11-,12?/m0/s1.
What are the key properties of (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine?
(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine is sourced from PubChem (CID 104932362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).