N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine

C18H33NO — CID 63476043

IUPACN-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
SMILESCC1CCC(OC2(CNC3CC3)CCCCCC2)CC1
InChIInChI=1S/C18H33NO/c1-15-6-10-17(11-7-15)20-18(14-19-16-8-9-16)12-4-2-3-5-13-18/h15-17,19H,2-14H2,1H3
InChIKeyALVMLPCYGDPQIC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.43
Rot. Bonds5

About N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine

N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine (PubChem CID 63476043) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
PubChem CID63476043
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
SMILESCC1CCC(OC2(CNC3CC3)CCCCCC2)CC1
InChIInChI=1S/C18H33NO/c1-15-6-10-17(11-7-15)20-18(14-19-16-8-9-16)12-4-2-3-5-13-18/h15-17,19H,2-14H2,1H3
InChIKeyALVMLPCYGDPQIC-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine (CID 63476043) is N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine is CC1CCC(OC2(CNC3CC3)CCCCCC2)CC1.
What is the InChIKey of N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine?
The InChIKey is ALVMLPCYGDPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-15-6-10-17(11-7-15)20-18(14-19-16-8-9-16)12-4-2-3-5-13-18/h15-17,19H,2-14H2,1H3.
What are the key properties of N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine?
N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine has a molecular weight of 279.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 63476043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).