5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol

C16H30N2O — CID 70892615

IUPAC5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol
SMILESC/C=C/CC(NC(O)CCCCN)C1=CCCCC1
InChIInChI=1S/C16H30N2O/c1-2-3-11-15(14-9-5-4-6-10-14)18-16(19)12-7-8-13-17/h2-3,9,15-16,18-19H,4-8,10-13,17H2,1H3/b3-2+
InChIKeyIVADTMYEPZTKPS-NSCUHMNNSA-N
MW266.43 g/mol
LogP2.86
Rot. Bonds9

About 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol

5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol (PubChem CID 70892615) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol
PubChem CID70892615
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol
SMILESC/C=C/CC(NC(O)CCCCN)C1=CCCCC1
InChIInChI=1S/C16H30N2O/c1-2-3-11-15(14-9-5-4-6-10-14)18-16(19)12-7-8-13-17/h2-3,9,15-16,18-19H,4-8,10-13,17H2,1H3/b3-2+
InChIKeyIVADTMYEPZTKPS-NSCUHMNNSA-N
XLogP2.86
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol with MolForge

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Related Compounds

5-amino-1-[[(5E)-2-methyl-6-(trifluoromethyl)octa-1,5-dien-3-yl]amino]pentan-1-ol
CID 89074011
trans-6-Hexyl-2-(3-hydroxypropyl)-1,2,3,6-tetrahydro-pyridine hydrochloride
CID 129815081
3-[(2S,6R)-6-hexyl-1,2,3,6-tetrahydropyridin-2-yl]propan-1-ol
CID 10900303
5-amino-1-[[(1R)-3-aminocyclohex-2-en-1-yl]amino]pentan-1-ol
CID 70892543
5-amino-1-[[(1R)-4-butan-2-ylcyclohexa-2,4-dien-1-yl]amino]pentan-1-ol
CID 70892611
5-Amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol
CID 70974372
5-Amino-1-[(4-methyl-1,2,5,6,7,8-hexahydronaphthalen-1-yl)amino]pentan-1-ol
CID 70974390
5-Amino-1-[[4-(3,5-dimethylcyclohexyl)cyclohexa-2,4-dien-1-yl]amino]pentan-1-ol
CID 70974518
1-[3-[[(Z)-octadec-9-enyl]amino]hexan-2-ylamino]propan-1-ol
CID 88797099
1-[1-[[(Z)-octadec-9-enyl]amino]propan-2-ylamino]propan-1-ol
CID 88797139
4-[[(Z)-5-methylidene-1-[[(Z)-5-methylidene-1-[[(Z)-2-methylidenepent-3-enyl]amino]oct-6-en-4-yl]amino]oct-6-en-4-yl]amino]butan-1-ol
CID 122448990
2-Ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol
CID 123624071

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol?
The IUPAC name of 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol (CID 70892615) is 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol.
What is the SMILES notation for 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol?
The canonical SMILES for 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol is C/C=C/CC(NC(O)CCCCN)C1=CCCCC1.
What is the InChIKey of 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol?
The InChIKey is IVADTMYEPZTKPS-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-3-11-15(14-9-5-4-6-10-14)18-16(19)12-7-8-13-17/h2-3,9,15-16,18-19H,4-8,10-13,17H2,1H3/b3-2+.
What are the key properties of 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol?
5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 2.86, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol is sourced from PubChem (CID 70892615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).