N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene

C19H37N — CID 142437557

IUPACN-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene
SMILESC/C=C\CC(NC1CCCC1)C(CC)CCC.C=CC
InChIInChI=1S/C16H31N.C3H6/c1-4-7-13-16(14(6-3)10-5-2)17-15-11-8-9-12-15;1-3-2/h4,7,14-17H,5-6,8-13H2,1-3H3;3H,1H2,2H3/b7-4-;
InChIKeyNPIKFLJJUWYCLS-ZULQGGHCSA-N
MW279.51 g/mol
LogP5.87
Rot. Bonds8

About N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene

N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene (PubChem CID 142437557) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene.

Molecular Properties

Compound NameN-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene
PubChem CID142437557
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene
SMILESC/C=C\CC(NC1CCCC1)C(CC)CCC.C=CC
InChIInChI=1S/C16H31N.C3H6/c1-4-7-13-16(14(6-3)10-5-2)17-15-11-8-9-12-15;1-3-2/h4,7,14-17H,5-6,8-13H2,1-3H3;3H,1H2,2H3/b7-4-;
InChIKeyNPIKFLJJUWYCLS-ZULQGGHCSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.87
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-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine
CID 142437558
2-N-cyclopentyl-3-methylhexane-1,2-diamine
CID 65384574
N-(3-ethylpentan-2-yl)cyclohexanamine
CID 63842425
N-pentan-2-ylcyclooctanamine
CID 43079432
N-but-3-en-2-ylcyclopentanamine
CID 115727919
N-hexan-3-ylcyclopropanamine
CID 103920845
(Z)-4-propyloct-6-en-3-amine
CID 89392102
acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol
CID 143066011
N-decan-4-ylcyclohexanamine
CID 175237913
1-N'-cyclopentyl-1-N-propylpropane-1,1-diamine
CID 173232386
5-ethyloct-2-ene
CID 54276882
1-N,1-N-di(cyclobutyl)-2-N-cyclopentylpentane-1,2-diamine
CID 166972958

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene?
The IUPAC name of N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene (CID 142437557) is N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene.
What is the SMILES notation for N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene?
The canonical SMILES for N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene is C/C=C\CC(NC1CCCC1)C(CC)CCC.C=CC.
What is the InChIKey of N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene?
The InChIKey is NPIKFLJJUWYCLS-ZULQGGHCSA-N. The full InChI is InChI=1S/C16H31N.C3H6/c1-4-7-13-16(14(6-3)10-5-2)17-15-11-8-9-12-15;1-3-2/h4,7,14-17H,5-6,8-13H2,1-3H3;3H,1H2,2H3/b7-4-;.
What are the key properties of N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene?
N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene has a molecular weight of 279.51 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-6-ethylnon-2-en-5-yl]cyclopentanamine;prop-1-ene is sourced from PubChem (CID 142437557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).