2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine

C13H27NO — CID 106451456

IUPAC2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine
SMILESCCCOCCNC1CCCC(C)C1C
InChIInChI=1S/C13H27NO/c1-4-9-15-10-8-14-13-7-5-6-11(2)12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyQRQIBMBBWNNQKB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine

2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine (PubChem CID 106451456) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine
PubChem CID106451456
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine
SMILESCCCOCCNC1CCCC(C)C1C
InChIInChI=1S/C13H27NO/c1-4-9-15-10-8-14-13-7-5-6-11(2)12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyQRQIBMBBWNNQKB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Cyclohexylmethyl)(2-methoxyethyl)amine
CID 17158410
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115
2,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54962230
N-[(2-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55013669
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733194
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733195
5-methyl-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733273
1-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62405913
1-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 62407711
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63776665
4-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63828540

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine (CID 106451456) is 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine is CCCOCCNC1CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine?
The InChIKey is QRQIBMBBWNNQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-9-15-10-8-14-13-7-5-6-11(2)12(13)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine?
2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 106451456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).