N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

C18H33NO — CID 106656142

IUPACN-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)C1=CCCCCCC1
InChIInChI=1S/C18H33NO/c1-3-14-19-17(15-18(20-2)12-9-13-18)16-10-7-5-4-6-8-11-16/h10,17,19H,3-9,11-15H2,1-2H3
InChIKeyCKHSIDBMKRAPMO-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.59
Rot. Bonds7

About N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 106656142) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID106656142
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)C1=CCCCCCC1
InChIInChI=1S/C18H33NO/c1-3-14-19-17(15-18(20-2)12-9-13-18)16-10-7-5-4-6-8-11-16/h10,17,19H,3-9,11-15H2,1-2H3
InChIKeyCKHSIDBMKRAPMO-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N,3-dimethylnonadeca-8,11,14-trien-1-amine
CID 90836098
N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
CID 173413041
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167891
N-[2-(cyclohexen-1-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79895687
1-(cyclohexen-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103036049
1-(cyclohexen-1-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103036050
N-[1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163076
1-(Cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556338
1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556339
N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556340
1-(Cyclopenten-1-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556341
1-(cyclopenten-1-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556342

Frequently Asked Questions

What is the IUPAC name of N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 106656142) is N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)C1=CCCCCCC1.
What is the InChIKey of N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is CKHSIDBMKRAPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-14-19-17(15-18(20-2)12-9-13-18)16-10-7-5-4-6-8-11-16/h10,17,19H,3-9,11-15H2,1-2H3.
What are the key properties of N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cycloocten-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 106656142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).