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

C16H29NO — CID 103556340

IUPACN-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)C1=CCCCC1
InChIInChI=1S/C16H29NO/c1-3-12-17-15(14-8-5-4-6-9-14)13-16(18-2)10-7-11-16/h8,15,17H,3-7,9-13H2,1-2H3
InChIKeyNSHSKDDOJMSMTK-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds7

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

N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103556340) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103556340
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)C1=CCCCC1
InChIInChI=1S/C16H29NO/c1-3-12-17-15(14-8-5-4-6-9-14)13-16(18-2)10-7-11-16/h8,15,17H,3-7,9-13H2,1-2H3
InChIKeyNSHSKDDOJMSMTK-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
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

N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
CID 173413041
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-2-methyloxan-4-amine
CID 64100349
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64863841
N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156045
N-[cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156096
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167891
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167892
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295231
N-cyclohex-3-en-1-yl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65700860
N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79757908
N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79760373

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 103556340) is N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is NSHSKDDOJMSMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-12-17-15(14-8-5-4-6-9-14)13-16(18-2)10-7-11-16/h8,15,17H,3-7,9-13H2,1-2H3.
What are the key properties of N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103556340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).