1-cycloheptyl-2-methoxy-N-methylpentan-1-amine

C14H29NO — CID 116718958

IUPAC1-cycloheptyl-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)C1CCCCCC1
InChIInChI=1S/C14H29NO/c1-4-9-13(16-3)14(15-2)12-10-7-5-6-8-11-12/h12-15H,4-11H2,1-3H3
InChIKeyDBVFGPANSWOEAZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds6

About 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine

1-cycloheptyl-2-methoxy-N-methylpentan-1-amine (PubChem CID 116718958) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-2-methoxy-N-methylpentan-1-amine
PubChem CID116718958
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cycloheptyl-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)C1CCCCCC1
InChIInChI=1S/C14H29NO/c1-4-9-13(16-3)14(15-2)12-10-7-5-6-8-11-12/h12-15H,4-11H2,1-3H3
InChIKeyDBVFGPANSWOEAZ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cycloheptyl-2-methoxypentyl)hydrazine
CID 105271706
1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine
CID 116718955
2-methoxy-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 116718856
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
1-cyclopentyl-3-methoxy-N-methylhexan-2-amine
CID 116718854
1,2-dicyclohexyl-2-methoxy-N-methylethanamine
CID 116771418
(1-cyclohexyl-3-methoxyhexan-2-yl)hydrazine
CID 105271682
1-cyclopentyl-2-methoxy-N-methylpropan-1-amine
CID 79616561
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
CID 116718387
1-cyclopropyl-N-methyl-2-propylpentan-1-amine
CID 104994098
2-methoxy-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 116718802

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine?
The IUPAC name of 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine (CID 116718958) is 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine is CCCC(OC)C(NC)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine?
The InChIKey is DBVFGPANSWOEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-9-13(16-3)14(15-2)12-10-7-5-6-8-11-12/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine?
1-cycloheptyl-2-methoxy-N-methylpentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 116718958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).