4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol

C30H51NO3 — CID 87690995

IUPAC4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CCCN(CCCC(O)(CC=C)CC=C)CCCC(O)(CC=C)CC=C
InChIInChI=1S/C30H51NO3/c1-7-16-28(32,17-8-2)22-13-25-31(26-14-23-29(33,18-9-3)19-10-4)27-15-24-30(34,20-11-5)21-12-6/h7-12,32-34H,1-6,13-27H2
InChIKeyWZNODNZCFFDAKW-UHFFFAOYSA-N
MW473.74 g/mol
LogP6.28
Rot. Bonds24

About 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol

4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol (PubChem CID 87690995) has the molecular formula C30H51NO3 and a molecular weight of 473.74 g/mol. Its IUPAC name is 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol
PubChem CID87690995
Molecular FormulaC30H51NO3
Molecular Weight473.74 g/mol
Exact Mass473.39
IUPAC Name4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CCCN(CCCC(O)(CC=C)CC=C)CCCC(O)(CC=C)CC=C
InChIInChI=1S/C30H51NO3/c1-7-16-28(32,17-8-2)22-13-25-31(26-14-23-29(33,18-9-3)19-10-4)27-15-24-30(34,20-11-5)21-12-6/h7-12,32-34H,1-6,13-27H2
InChIKeyWZNODNZCFFDAKW-UHFFFAOYSA-N
XLogP6.28
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.74
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol with MolForge

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Related Compounds

9-[Bis(6-hydroxy-6-prop-2-enylnon-8-enyl)amino]-4-prop-2-enylnon-1-en-4-ol
CID 87690906
8-[Bis(5-hydroxypentyl)amino]-4-prop-2-enyloct-1-en-4-ol
CID 87691606
4-[3-[(4-Hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol
CID 87691664
4-[3-[Bis(4-hydroxybutyl)amino]propyl]hepta-1,6-dien-4-ol
CID 87691703
4-[2-[Bis(3-hydroxy-3-prop-2-enylhex-5-enyl)amino]ethyl]hepta-1,6-dien-4-ol
CID 87817168
8-[Bis(5-hydroxy-5-prop-2-enyloct-7-enyl)amino]-4-prop-2-enyloct-1-en-4-ol
CID 87819200
4-[[Bis(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
CID 87823364
2,4-Dimethyl-4-[[methyl(2,4,4-trimethylhexan-2-yl)amino]methyl]hex-5-en-2-ol
CID 178782470
1-Methyl-4-prop-2-enylazepan-4-ol
CID 79734396
1-Ethyl-4-prop-2-enylazepan-4-ol
CID 79734397
4-Prop-2-enyl-1-propylazepan-4-ol
CID 79734490
4-[2-(Diethylamino)propyl]hepta-1,6-dien-4-ol
CID 101070758

Frequently Asked Questions

What is the IUPAC name of 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol (CID 87690995) is 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CCCN(CCCC(O)(CC=C)CC=C)CCCC(O)(CC=C)CC=C.
What is the InChIKey of 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol?
The InChIKey is WZNODNZCFFDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51NO3/c1-7-16-28(32,17-8-2)22-13-25-31(26-14-23-29(33,18-9-3)19-10-4)27-15-24-30(34,20-11-5)21-12-6/h7-12,32-34H,1-6,13-27H2.
What are the key properties of 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol?
4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol has a molecular weight of 473.74 g/mol, XLogP of 6.28, 24 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[bis(4-hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 87690995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).