N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine

C18H35NO — CID 63473769

IUPACN-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
SMILESCC(C)NCC1(OC2CCCCCC2)CCCCCC1
InChIInChI=1S/C18H35NO/c1-16(2)19-15-18(13-9-5-6-10-14-18)20-17-11-7-3-4-8-12-17/h16-17,19H,3-15H2,1-2H3
InChIKeyKQZKQJVNUSDJTD-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.82
Rot. Bonds5

About N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine

N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine (PubChem CID 63473769) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
PubChem CID63473769
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
SMILESCC(C)NCC1(OC2CCCCCC2)CCCCCC1
InChIInChI=1S/C18H35NO/c1-16(2)19-15-18(13-9-5-6-10-14-18)20-17-11-7-3-4-8-12-17/h16-17,19H,3-15H2,1-2H3
InChIKeyKQZKQJVNUSDJTD-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
N-[(1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
CID 62107127
N-[[1-(oxan-4-yloxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 62107163
N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
CID 64744957
N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
CID 63476043
N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 62107213
N-[2-(1-cyclohexyloxycyclobutyl)ethyl]-2-methylpropan-1-amine
CID 103273010
N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62106678
N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine
CID 62106260
N-[[1-(oxan-4-yloxy)cyclohexyl]methyl]propan-1-amine
CID 62106086

Frequently Asked Questions

What is the IUPAC name of N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine (CID 63473769) is N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine is CC(C)NCC1(OC2CCCCCC2)CCCCCC1.
What is the InChIKey of N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine?
The InChIKey is KQZKQJVNUSDJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-16(2)19-15-18(13-9-5-6-10-14-18)20-17-11-7-3-4-8-12-17/h16-17,19H,3-15H2,1-2H3.
What are the key properties of N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine?
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine is sourced from PubChem (CID 63473769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).