(1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine

C18H27NO — CID 116769823

IUPAC(1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine
SMILESCOC1(C(N)C2CC2c2ccccc2)CCCCCC1
InChIInChI=1S/C18H27NO/c1-20-18(11-7-2-3-8-12-18)17(19)16-13-15(16)14-9-5-4-6-10-14/h4-6,9-10,15-17H,2-3,7-8,11-13,19H2,1H3
InChIKeyBFZXOWFNWBKREH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.86
Rot. Bonds4

About (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine

(1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine (PubChem CID 116769823) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine
PubChem CID116769823
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine
SMILESCOC1(C(N)C2CC2c2ccccc2)CCCCCC1
InChIInChI=1S/C18H27NO/c1-20-18(11-7-2-3-8-12-18)17(19)16-13-15(16)14-9-5-4-6-10-14/h4-6,9-10,15-17H,2-3,7-8,11-13,19H2,1H3
InChIKeyBFZXOWFNWBKREH-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine?
The IUPAC name of (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine (CID 116769823) is (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine is COC1(C(N)C2CC2c2ccccc2)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine?
The InChIKey is BFZXOWFNWBKREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-20-18(11-7-2-3-8-12-18)17(19)16-13-15(16)14-9-5-4-6-10-14/h4-6,9-10,15-17H,2-3,7-8,11-13,19H2,1H3.
What are the key properties of (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine?
(1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116769823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).