ethanol;2-methyl-N-propylcycloheptan-1-amine

C13H29NO — CID 71071730

IUPACethanol;2-methyl-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1C.CCO
InChIInChI=1S/C11H23N.C2H6O/c1-3-9-12-11-8-6-4-5-7-10(11)2;1-2-3/h10-12H,3-9H2,1-2H3;3H,2H2,1H3
InChIKeyALCJFPSVMOJFLI-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.95
Rot. Bonds3

About ethanol;2-methyl-N-propylcycloheptan-1-amine

ethanol;2-methyl-N-propylcycloheptan-1-amine (PubChem CID 71071730) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethanol;2-methyl-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Nameethanol;2-methyl-N-propylcycloheptan-1-amine
PubChem CID71071730
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethanol;2-methyl-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1C.CCO
InChIInChI=1S/C11H23N.C2H6O/c1-3-9-12-11-8-6-4-5-7-10(11)2;1-2-3/h10-12H,3-9H2,1-2H3;3H,2H2,1H3
InChIKeyALCJFPSVMOJFLI-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

ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
6-[(2-methylcyclopentyl)amino]hexan-1-ol
CID 115906759
2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
CID 79361747
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
1-cyclohexyl-3-methyl-N-propylpiperidin-4-amine
CID 54975332

Frequently Asked Questions

What is the IUPAC name of ethanol;2-methyl-N-propylcycloheptan-1-amine?
The IUPAC name of ethanol;2-methyl-N-propylcycloheptan-1-amine (CID 71071730) is ethanol;2-methyl-N-propylcycloheptan-1-amine.
What is the SMILES notation for ethanol;2-methyl-N-propylcycloheptan-1-amine?
The canonical SMILES for ethanol;2-methyl-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1C.CCO.
What is the InChIKey of ethanol;2-methyl-N-propylcycloheptan-1-amine?
The InChIKey is ALCJFPSVMOJFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H6O/c1-3-9-12-11-8-6-4-5-7-10(11)2;1-2-3/h10-12H,3-9H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;2-methyl-N-propylcycloheptan-1-amine?
ethanol;2-methyl-N-propylcycloheptan-1-amine 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 ethanol;2-methyl-N-propylcycloheptan-1-amine is sourced from PubChem (CID 71071730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).