5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol

C14H29NO — CID 106147034

IUPAC5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCCCCNCC(C)(C)CCCO
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-11-15-13-14(2,3)10-9-12-16/h4,15-16H,1,5-13H2,2-3H3
InChIKeyXPHONPQLFWPGGI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.12
Rot. Bonds11

About 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol

5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106147034) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol
PubChem CID106147034
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCCCCNCC(C)(C)CCCO
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-11-15-13-14(2,3)10-9-12-16/h4,15-16H,1,5-13H2,2-3H3
InChIKeyXPHONPQLFWPGGI-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Aminopropyl)-2-prop-2-enylpent-4-en-1-ol
CID 88501618
2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
5-(Pent-4-enylamino)pentan-1-ol
CID 107317245
5-(Hept-6-enylamino)pentan-1-ol
CID 107317277
5-(But-3-enylamino)pentan-1-ol
CID 116034314
2-(3-Ethenylpiperidin-4-yl)propan-1-ol
CID 123575664
4-But-3-enyl-4-ethylpyrrolidin-2-ol
CID 134202368
6-(Pent-4-en-2-ylamino)hexan-2-ol
CID 134439295
2-Methyl-2-(1,2,3,4-tetrahydropyridin-4-yl)propan-1-ol
CID 146493716
5-(Hex-5-enylamino)pentan-1-ol
CID 153618117
5-(Oct-7-enylamino)pentan-1-ol
CID 171564219
(3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol
CID 172612604

Frequently Asked Questions

What is the IUPAC name of 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol (CID 106147034) is 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol is C=CCCCCCNCC(C)(C)CCCO.
What is the InChIKey of 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is XPHONPQLFWPGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-6-7-8-11-15-13-14(2,3)10-9-12-16/h4,15-16H,1,5-13H2,2-3H3.
What are the key properties of 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol?
5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.12, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hept-6-enylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).