4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol

C16H27NO2 — CID 87691553

IUPAC4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CNCC(O)(CC=C)CC=C
InChIInChI=1S/C16H27NO2/c1-5-9-15(18,10-6-2)13-17-14-16(19,11-7-3)12-8-4/h5-8,17-19H,1-4,9-14H2
InChIKeySFUHYRRPEKWJNH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.34
Rot. Bonds12

About 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol

4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol (PubChem CID 87691553) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
PubChem CID87691553
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CNCC(O)(CC=C)CC=C
InChIInChI=1S/C16H27NO2/c1-5-9-15(18,10-6-2)13-17-14-16(19,11-7-3)12-8-4/h5-8,17-19H,1-4,9-14H2
InChIKeySFUHYRRPEKWJNH-UHFFFAOYSA-N
XLogP2.34
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylpent-4-ene-1,2-diol
CID 13218060
N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
CID 23007822
4-[2-[bis(3-hydroxy-3-prop-2-enylhex-5-enyl)amino]ethyl]hepta-1,6-dien-4-ol
CID 87817168
4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol
CID 87299853
(1R,9aR)-1-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol
CID 46992532
4-(3-bromopropyl)hepta-1,6-dien-4-ol
CID 23007811
2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol
CID 155341339
4-aminohepta-1,6-dien-4-ol
CID 87970022
1-tert-butylsulfanyl-2-(tert-butylsulfanylmethyl)pent-4-en-2-ol
CID 71669760
2-ethenyl-2-hydroxypent-4-enal
CID 173106151
4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol
CID 22034395
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol (CID 87691553) is 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CNCC(O)(CC=C)CC=C.
What is the InChIKey of 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol?
The InChIKey is SFUHYRRPEKWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-9-15(18,10-6-2)13-17-14-16(19,11-7-3)12-8-4/h5-8,17-19H,1-4,9-14H2.
What are the key properties of 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol?
4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol has a molecular weight of 265.40 g/mol, XLogP of 2.34, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 87691553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).