N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine

C13H27NO — CID 64753175

IUPACN-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
SMILESCCCOC1C(C)CC(C)CC1NCC
InChIInChI=1S/C13H27NO/c1-5-7-15-13-11(4)8-10(3)9-12(13)14-6-2/h10-14H,5-9H2,1-4H3
InChIKeyQVROKGBWEJZVDL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine (PubChem CID 64753175) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
PubChem CID64753175
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine
SMILESCCCOC1C(C)CC(C)CC1NCC
InChIInChI=1S/C13H27NO/c1-5-7-15-13-11(4)8-10(3)9-12(13)14-6-2/h10-14H,5-9H2,1-4H3
InChIKeyQVROKGBWEJZVDL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

N-ethyl-2-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 66234496
N-ethyl-3,5-dimethyl-2-(4-methylpentoxy)cyclohexan-1-amine
CID 64751794
2-heptoxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752974
2-(2-cyclopropylethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 106200648
N,3,5-trimethyl-2-pentoxycyclohexan-1-amine
CID 64753575
2-cyclobutyloxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64752392
N-ethyl-3,5-dimethyl-2-(oxetan-3-yloxy)cyclohexan-1-amine
CID 102606113
2-heptoxy-N,3,5-trimethylcyclohexan-1-amine
CID 64752776
N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,5-dimethylcyclohexan-1-amine
CID 102721859
2-(cyclohexylmethoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64753382

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine (CID 64753175) is N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine is CCCOC1C(C)CC(C)CC1NCC.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine?
The InChIKey is QVROKGBWEJZVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-15-13-11(4)8-10(3)9-12(13)14-6-2/h10-14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-propoxycyclohexan-1-amine is sourced from PubChem (CID 64753175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).