N-(cyclohexylmethyl)-3-methoxypropan-1-amine

C11H23NO — CID 17207140

IUPACN-(cyclohexylmethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCC1CCCCC1
InChIInChI=1S/C11H23NO/c1-13-9-5-8-12-10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyRIAKCVGWKHHVIW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds6

About N-(cyclohexylmethyl)-3-methoxypropan-1-amine

N-(cyclohexylmethyl)-3-methoxypropan-1-amine (PubChem CID 17207140) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methoxypropan-1-amine
PubChem CID17207140
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(cyclohexylmethyl)-3-methoxypropan-1-amine
SMILESCOCCCNCC1CCCCC1
InChIInChI=1S/C11H23NO/c1-13-9-5-8-12-10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyRIAKCVGWKHHVIW-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
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

N-(2-cyclopentylethyl)-3-methoxypropan-1-amine
CID 54856807
N-(cyclohexylmethyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 62555270
2-[3-(cyclooctylmethylamino)propoxy]ethanol
CID 113362814
2-[3-(cycloheptylmethylamino)propoxy]ethanol
CID 103992574
N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62561222
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-[2-(cyclopentylmethoxy)ethyl]-3-methoxypropan-1-amine
CID 66322077
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
N-(2-cyclohexyloxyethyl)-3-methoxypropan-1-amine
CID 62567637

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methoxypropan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-methoxypropan-1-amine (CID 17207140) is N-(cyclohexylmethyl)-3-methoxypropan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methoxypropan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-methoxypropan-1-amine is COCCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-methoxypropan-1-amine?
The InChIKey is RIAKCVGWKHHVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-13-9-5-8-12-10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-3-methoxypropan-1-amine?
N-(cyclohexylmethyl)-3-methoxypropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 17207140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).