1-cycloheptyl-3-methoxy-3-methylbutan-1-amine

C13H27NO — CID 103029033

IUPAC1-cycloheptyl-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)C1CCCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)10-12(14)11-8-6-4-5-7-9-11/h11-12H,4-10,14H2,1-3H3
InChIKeyUYBMRCXAYHPMSD-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds4

About 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine

1-cycloheptyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 103029033) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-methoxy-3-methylbutan-1-amine
PubChem CID103029033
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cycloheptyl-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)C1CCCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)10-12(14)11-8-6-4-5-7-9-11/h11-12H,4-10,14H2,1-3H3
InChIKeyUYBMRCXAYHPMSD-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine (CID 103029033) is 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CC(N)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is UYBMRCXAYHPMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,15-3)10-12(14)11-8-6-4-5-7-9-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine?
1-cycloheptyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103029033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).