1-cyclohexyl-5-methoxypentan-2-amine

C12H25NO — CID 65092031

IUPAC1-cyclohexyl-5-methoxypentan-2-amine
SMILESCOCCCC(N)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-14-9-5-8-12(13)10-11-6-3-2-4-7-11/h11-12H,2-10,13H2,1H3
InChIKeyPBXDGBUBMVCHRM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds6

About 1-cyclohexyl-5-methoxypentan-2-amine

1-cyclohexyl-5-methoxypentan-2-amine (PubChem CID 65092031) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-5-methoxypentan-2-amine
PubChem CID65092031
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclohexyl-5-methoxypentan-2-amine
SMILESCOCCCC(N)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-14-9-5-8-12(13)10-11-6-3-2-4-7-11/h11-12H,2-10,13H2,1H3
InChIKeyPBXDGBUBMVCHRM-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptylheptan-2-amine
CID 115837607
4-amino-5-cyclohexylpentan-1-ol
CID 82406010
1-cyclopentyldecan-2-amine
CID 115835607
1-cyclohexyl-5-methoxyhexan-2-amine
CID 105135842
1-(3-ethoxycyclobutyl)-5-methoxypentan-2-amine
CID 103169770
1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
CID 103031159
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
2-amino-3-cyclohexyl-N-(3-methoxypropyl)-N-methylpropanamide
CID 114264774
1-cycloheptylhept-6-yn-2-amine
CID 105034110
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxypentan-2-amine?
The IUPAC name of 1-cyclohexyl-5-methoxypentan-2-amine (CID 65092031) is 1-cyclohexyl-5-methoxypentan-2-amine.
What is the SMILES notation for 1-cyclohexyl-5-methoxypentan-2-amine?
The canonical SMILES for 1-cyclohexyl-5-methoxypentan-2-amine is COCCCC(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methoxypentan-2-amine?
The InChIKey is PBXDGBUBMVCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-14-9-5-8-12(13)10-11-6-3-2-4-7-11/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-cyclohexyl-5-methoxypentan-2-amine?
1-cyclohexyl-5-methoxypentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methoxypentan-2-amine is sourced from PubChem (CID 65092031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).