N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine

C12H25NO2 — CID 89099495

IUPACN-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
SMILESCOC(CCNCC1CCCCC1)OC
InChIInChI=1S/C12H25NO2/c1-14-12(15-2)8-9-13-10-11-6-4-3-5-7-11/h11-13H,3-10H2,1-2H3
InChIKeyPZTLMGVQUXRMJL-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.17
Rot. Bonds7

About N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine

N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine (PubChem CID 89099495) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
PubChem CID89099495
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
SMILESCOC(CCNCC1CCCCC1)OC
InChIInChI=1S/C12H25NO2/c1-14-12(15-2)8-9-13-10-11-6-4-3-5-7-11/h11-13H,3-10H2,1-2H3
InChIKeyPZTLMGVQUXRMJL-UHFFFAOYSA-N
XLogP2.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
CID 103876173
1-(cyclohexylmethylamino)pentan-3-ol
CID 115757169
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
3,3-dimethoxypropylcyclopentane
CID 58449962
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
4-chloro-N-(cyclohexylmethyl)pentan-1-amine
CID 106122000
4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine (CID 89099495) is N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine is COC(CCNCC1CCCCC1)OC.
What is the InChIKey of N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine?
The InChIKey is PZTLMGVQUXRMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-14-12(15-2)8-9-13-10-11-6-4-3-5-7-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine?
N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine is sourced from PubChem (CID 89099495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).