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

C15H31NO2 — CID 81093238

IUPACN-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine
SMILESCCOC(CCNC1CCCC(C)C1C)OCC
InChIInChI=1S/C15H31NO2/c1-5-17-15(18-6-2)10-11-16-14-9-7-8-12(3)13(14)4/h12-16H,5-11H2,1-4H3
InChIKeyUVFGEQILTSEFJW-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.19
Rot. Bonds8

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

N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 81093238) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID81093238
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine
SMILESCCOC(CCNC1CCCC(C)C1C)OCC
InChIInChI=1S/C15H31NO2/c1-5-17-15(18-6-2)10-11-16-14-9-7-8-12(3)13(14)4/h12-16H,5-11H2,1-4H3
InChIKeyUVFGEQILTSEFJW-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-diethoxypropyl)-2-methoxycyclopentan-1-amine
CID 81094779
[2-(3,3-diethoxypropylamino)cyclopentyl]methanol
CID 114178624
2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 64774993
2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile
CID 175600999
2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine
CID 106451456
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
methyl 3-[(2,3-dimethylcyclohexyl)amino]propanoate
CID 43242623
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
N-(2-ethoxyethyl)-2-methylcyclopentan-1-amine
CID 63278014
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine (CID 81093238) is N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine is CCOC(CCNC1CCCC(C)C1C)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is UVFGEQILTSEFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-17-15(18-6-2)10-11-16-14-9-7-8-12(3)13(14)4/h12-16H,5-11H2,1-4H3.
What are the key properties of N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine?
N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81093238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).