2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol

C13H29NO — CID 71071435

IUPAC2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol
SMILESCCC1CCCCCC1NC.CCCO
InChIInChI=1S/C10H21N.C3H8O/c1-3-9-7-5-4-6-8-10(9)11-2;1-2-3-4/h9-11H,3-8H2,1-2H3;4H,2-3H2,1H3
InChIKeyZKADPVVJMNCQJC-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.95
Rot. Bonds3

About 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol

2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol (PubChem CID 71071435) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol.

Molecular Properties

Compound Name2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol
PubChem CID71071435
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol
SMILESCCC1CCCCCC1NC.CCCO
InChIInChI=1S/C10H21N.C3H8O/c1-3-9-7-5-4-6-8-10(9)11-2;1-2-3-4/h9-11H,3-8H2,1-2H3;4H,2-3H2,1H3
InChIKeyZKADPVVJMNCQJC-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethylcycloheptan-1-amine;propan-1-ol
CID 71071624
2-butyl-N-methylcyclohexan-1-amine;propan-1-ol
CID 71071796
butan-1-ol;2-butyl-N-methylcycloheptan-1-amine
CID 71071246
N-methyl-2-propan-2-ylcyclohexan-1-amine;propan-1-ol
CID 71071729
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
2-butan-2-yl-N-methylcyclooctan-1-amine;propan-1-ol
CID 71071601
[(1R,2R)-2-aminocyclohexyl]methanol;[(1R,2R)-2-(methylamino)cyclohexyl]methanol
CID 169429799
2-[[(1R,2R)-2-ethylcyclohexyl]amino]propane-1,3-diol
CID 96980456
N-methyl-2-octylcyclohexan-1-amine
CID 63400173
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol?
The IUPAC name of 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol (CID 71071435) is 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol.
What is the SMILES notation for 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol?
The canonical SMILES for 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol is CCC1CCCCCC1NC.CCCO.
What is the InChIKey of 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol?
The InChIKey is ZKADPVVJMNCQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C3H8O/c1-3-9-7-5-4-6-8-10(9)11-2;1-2-3-4/h9-11H,3-8H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol?
2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol is sourced from PubChem (CID 71071435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).