N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine

C17H31NO — CID 103163061

IUPACN-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)C1=CCCCC1
InChIInChI=1S/C17H31NO/c1-3-10-18-17(15-8-6-5-7-9-15)13-14-11-16(12-14)19-4-2/h8,14,16-18H,3-7,9-13H2,1-2H3
InChIKeyVIMNGVMNIMVCFD-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.06
Rot. Bonds8

About N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine

N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103163061) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103163061
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)C1=CCCCC1
InChIInChI=1S/C17H31NO/c1-3-10-18-17(15-8-6-5-7-9-15)13-14-11-16(12-14)19-4-2/h8,14,16-18H,3-7,9-13H2,1-2H3
InChIKeyVIMNGVMNIMVCFD-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.06
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

6-Methoxy-1-methyl-1,2,3,4,4a,5,6,7-octahydroisoquinoline
CID 54060540
N-(8-cyclobutylideneoctyl)-8-heptadecan-9-yloxyoctan-1-amine;1-methoxy-2-methylheptane
CID 168924603
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
N-[cyclopenten-1-yl(oxan-4-yl)methyl]ethanamine
CID 62904966
N-[cyclopenten-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 62904967
N-[cyclohexen-1-yl(oxan-4-yl)methyl]ethanamine
CID 62907585
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014165
N-[cyclohexen-1-yl(oxan-3-yl)methyl]ethanamine
CID 63014167
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014703
N-[cyclopenten-1-yl(oxan-3-yl)methyl]ethanamine
CID 63014704
N-[cyclopenten-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 63014878

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine (CID 103163061) is N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1CC(OCC)C1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is VIMNGVMNIMVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-10-18-17(15-8-6-5-7-9-15)13-14-11-16(12-14)19-4-2/h8,14,16-18H,3-7,9-13H2,1-2H3.
What are the key properties of N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.06, 8 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-(3-ethoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103163061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).