N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine

C14H29NO — CID 115709393

IUPACN-(3-cyclohexylpropyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCCCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(13(2)16-3)15-11-7-10-14-8-5-4-6-9-14/h12-15H,4-11H2,1-3H3
InChIKeyJTWZGRVRLREDDO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds7

About N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine

N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine (PubChem CID 115709393) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-3-methoxybutan-2-amine
PubChem CID115709393
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(3-cyclohexylpropyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCCCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(13(2)16-3)15-11-7-10-14-8-5-4-6-9-14/h12-15H,4-11H2,1-3H3
InChIKeyJTWZGRVRLREDDO-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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

3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
3-cyclohexyl-N-(1-cyclopropylethyl)propan-1-amine
CID 115676362
3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine
CID 115707779
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356
N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008374
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
CID 122100235
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711
N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine
CID 115729286
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine
CID 115705131
N-(3-cyclopentylpropyl)-5-methylheptan-3-amine
CID 114136708

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine?
The IUPAC name of N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine (CID 115709393) is N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine.
What is the SMILES notation for N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine?
The canonical SMILES for N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine is COC(C)C(C)NCCCC1CCCCC1.
What is the InChIKey of N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine?
The InChIKey is JTWZGRVRLREDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(13(2)16-3)15-11-7-10-14-8-5-4-6-9-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine?
N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine is sourced from PubChem (CID 115709393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).