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

C16H29NO — CID 103163069

IUPACN-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)C1=CCCC1
InChIInChI=1S/C16H29NO/c1-3-9-17-16(14-7-5-6-8-14)12-13-10-15(11-13)18-4-2/h7,13,15-17H,3-6,8-12H2,1-2H3
InChIKeyOPKZELOOONFWMK-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds8

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

N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103163069) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103163069
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)C1=CCCC1
InChIInChI=1S/C16H29NO/c1-3-9-17-16(14-7-5-6-8-14)12-13-10-15(11-13)18-4-2/h7,13,15-17H,3-6,8-12H2,1-2H3
InChIKeyOPKZELOOONFWMK-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
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

2-(4-Dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine
CID 155301829
N-(8-cyclobutylideneoctyl)-8-heptadecan-9-yloxyoctan-1-amine;1-methoxy-2-methylheptane
CID 168924603
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
(1,5-Dimethyl-4-hexen-1-yl)[4-(tetrahydro-2-furanyl)butyl]amine trifluoroacetate
CID 56855161
N-[cyclopenten-1-yl(oxan-4-yl)methyl]ethanamine
CID 62904966
N-[cyclopenten-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 62904967
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
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63015054

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine (CID 103163069) is N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1CC(OCC)C1)C1=CCCC1.
What is the InChIKey of N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is OPKZELOOONFWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-9-17-16(14-7-5-6-8-14)12-13-10-15(11-13)18-4-2/h7,13,15-17H,3-6,8-12H2,1-2H3.
What are the key properties of N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103163069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).