N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine

C13H25NO — CID 64774982

IUPACN-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine
SMILESC=COCCCNC1CCCC(C)C1C
InChIInChI=1S/C13H25NO/c1-4-15-10-6-9-14-13-8-5-7-11(2)12(13)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyOASONUASRGQBBD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.95
Rot. Bonds6

About N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine

N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 64774982) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID64774982
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine
SMILESC=COCCCNC1CCCC(C)C1C
InChIInChI=1S/C13H25NO/c1-4-15-10-6-9-14-13-8-5-7-11(2)12(13)3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyOASONUASRGQBBD-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 64774993
N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046875
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine
CID 103409528
2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine
CID 106451456
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923238
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
CID 64775564
N-(3-cyclohexyloxypropyl)-2-methylcyclopentan-1-amine
CID 65046770

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine (CID 64774982) is N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine is C=COCCCNC1CCCC(C)C1C.
What is the InChIKey of N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is OASONUASRGQBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-15-10-6-9-14-13-8-5-7-11(2)12(13)3/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine?
N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64774982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).