2-(cycloheptylmethoxy)-N-methylpropan-1-amine

C12H25NO — CID 165349469

IUPAC2-(cycloheptylmethoxy)-N-methylpropan-1-amine
SMILESCNCC(C)OCC1CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(9-13-2)14-10-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyNINQRIUIOMCQHN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds5

About 2-(cycloheptylmethoxy)-N-methylpropan-1-amine

2-(cycloheptylmethoxy)-N-methylpropan-1-amine (PubChem CID 165349469) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(cycloheptylmethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(cycloheptylmethoxy)-N-methylpropan-1-amine
PubChem CID165349469
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(cycloheptylmethoxy)-N-methylpropan-1-amine
SMILESCNCC(C)OCC1CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(9-13-2)14-10-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyNINQRIUIOMCQHN-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclohexylmethoxy)propyl]butan-1-amine
CID 62585334
2-(2-cyclobutylethoxy)-N-methylpropan-1-amine
CID 106201858
N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
2-(cyclopentylmethoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228841
2-(cyclohexylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093361
3-(cyclohexylmethoxy)-N-ethylbutan-1-amine
CID 114999307
4-(cyclohexylmethoxy)-N-ethylpentan-1-amine
CID 62485288
(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
CID 170000859
2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62486524
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
3-cyclopentyl-N,2-dimethylpropan-1-amine
CID 62530877
4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64719807

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-(cycloheptylmethoxy)-N-methylpropan-1-amine (CID 165349469) is 2-(cycloheptylmethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(cycloheptylmethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-(cycloheptylmethoxy)-N-methylpropan-1-amine is CNCC(C)OCC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylmethoxy)-N-methylpropan-1-amine?
The InChIKey is NINQRIUIOMCQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(9-13-2)14-10-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(cycloheptylmethoxy)-N-methylpropan-1-amine?
2-(cycloheptylmethoxy)-N-methylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 165349469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).