1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine

C18H27N — CID 63505814

IUPAC1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCC1)C(CC)c1ccccc1
InChIInChI=1S/C18H27N/c1-3-14-19-18(16-12-8-9-13-16)17(4-2)15-10-6-5-7-11-15/h5-7,10-12,17-19H,3-4,8-9,13-14H2,1-2H3
InChIKeyASVMFRUIGRCWRP-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.66
Rot. Bonds7

About 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine

1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine (PubChem CID 63505814) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine
PubChem CID63505814
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCC1)C(CC)c1ccccc1
InChIInChI=1S/C18H27N/c1-3-14-19-18(16-12-8-9-13-16)17(4-2)15-10-6-5-7-11-15/h5-7,10-12,17-19H,3-4,8-9,13-14H2,1-2H3
InChIKeyASVMFRUIGRCWRP-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115801219
3-phenyl-N-propylpentan-2-amine
CID 66438754
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine
CID 105033012
N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 106653818
1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
CID 106656618
1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 115860421
1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine
CID 106653067
1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 103135439
3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline
CID 106657376

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine (CID 63505814) is 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine is CCCNC(C1=CCCC1)C(CC)c1ccccc1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine?
The InChIKey is ASVMFRUIGRCWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-14-19-18(16-12-8-9-13-16)17(4-2)15-10-6-5-7-11-15/h5-7,10-12,17-19H,3-4,8-9,13-14H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine?
1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 63505814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).