N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine

C18H35NO — CID 116770430

IUPACN-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1(OC)CCCCCC1
InChIInChI=1S/C18H35NO/c1-3-15-19-17(16-11-7-6-8-12-16)18(20-2)13-9-4-5-10-14-18/h16-17,19H,3-15H2,1-2H3
InChIKeyQZWCSWVELFMXPK-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.67
Rot. Bonds6

About N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine

N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine (PubChem CID 116770430) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine
PubChem CID116770430
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1(OC)CCCCCC1
InChIInChI=1S/C18H35NO/c1-3-15-19-17(16-11-7-6-8-12-16)18(20-2)13-9-4-5-10-14-18/h16-17,19H,3-15H2,1-2H3
InChIKeyQZWCSWVELFMXPK-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611352
N-[(4-ethylcyclohexyl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770366
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050
[cyclopropyl-(1-methoxycycloheptyl)methyl]hydrazine
CID 105278128
1-(4-ethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770174
[(1-methoxycycloheptyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105278264
N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769652
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
[cycloheptyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105278004
1-(1-methoxycycloheptyl)-3-methyl-N-propylbut-3-en-1-amine
CID 116770456
1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
CID 116770521
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine (CID 116770430) is N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine is CCCNC(C1CCCCC1)C1(OC)CCCCCC1.
What is the InChIKey of N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine?
The InChIKey is QZWCSWVELFMXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-15-19-17(16-11-7-6-8-12-16)18(20-2)13-9-4-5-10-14-18/h16-17,19H,3-15H2,1-2H3.
What are the key properties of N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine?
N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine is sourced from PubChem (CID 116770430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).