5-(hept-6-enylamino)-2-methylpentan-1-ol

C13H27NO — CID 106160063

IUPAC5-(hept-6-enylamino)-2-methylpentan-1-ol
SMILESC=CCCCCCNCCCC(C)CO
InChIInChI=1S/C13H27NO/c1-3-4-5-6-7-10-14-11-8-9-13(2)12-15/h3,13-15H,1,4-12H2,2H3
InChIKeyNKSZYXCCEKIFRR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.73
Rot. Bonds11

About 5-(hept-6-enylamino)-2-methylpentan-1-ol

5-(hept-6-enylamino)-2-methylpentan-1-ol (PubChem CID 106160063) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-(hept-6-enylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(hept-6-enylamino)-2-methylpentan-1-ol
PubChem CID106160063
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-(hept-6-enylamino)-2-methylpentan-1-ol
SMILESC=CCCCCCNCCCC(C)CO
InChIInChI=1S/C13H27NO/c1-3-4-5-6-7-10-14-11-8-9-13(2)12-15/h3,13-15H,1,4-12H2,2H3
InChIKeyNKSZYXCCEKIFRR-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.73
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

5-(pent-4-enylamino)pentan-1-ol
CID 107317245
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
N-propylnon-8-en-1-amine
CID 107010151
N-pent-4-enyloctan-1-amine
CID 79006791
3-(hept-6-enylamino)-N-propan-2-ylpropanamide
CID 107007090
N'-hept-6-enylethane-1,2-diamine
CID 107006766
N-(2-methylprop-2-enyl)hept-6-en-1-amine
CID 107007189
3-[(hept-6-enylamino)methyl]hexan-1-ol
CID 106115194
2-[[(5-hydroxy-4-methylpentyl)amino]methyl]prop-2-enoic acid
CID 106162293
11-methyltridec-1-ene
CID 528465
14-methylhexadec-1-ene
CID 86185732

Frequently Asked Questions

What is the IUPAC name of 5-(hept-6-enylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(hept-6-enylamino)-2-methylpentan-1-ol (CID 106160063) is 5-(hept-6-enylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(hept-6-enylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(hept-6-enylamino)-2-methylpentan-1-ol is C=CCCCCCNCCCC(C)CO.
What is the InChIKey of 5-(hept-6-enylamino)-2-methylpentan-1-ol?
The InChIKey is NKSZYXCCEKIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-5-6-7-10-14-11-8-9-13(2)12-15/h3,13-15H,1,4-12H2,2H3.
What are the key properties of 5-(hept-6-enylamino)-2-methylpentan-1-ol?
5-(hept-6-enylamino)-2-methylpentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.73, 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)-2-methylpentan-1-ol is sourced from PubChem (CID 106160063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).