2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol

C14H29NO — CID 115719450

IUPAC2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol
SMILESCCCC(C)(O)CNC(C)CCC=C(C)C
InChIInChI=1S/C14H29NO/c1-6-10-14(5,16)11-15-13(4)9-7-8-12(2)3/h8,13,15-16H,6-7,9-11H2,1-5H3
InChIKeyAIZQCDFAZVFZAM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.26
Rot. Bonds8

About 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol

2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol (PubChem CID 115719450) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol
PubChem CID115719450
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol
SMILESCCCC(C)(O)CNC(C)CCC=C(C)C
InChIInChI=1S/C14H29NO/c1-6-10-14(5,16)11-15-13(4)9-7-8-12(2)3/h8,13,15-16H,6-7,9-11H2,1-5H3
InChIKeyAIZQCDFAZVFZAM-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol (CID 115719450) is 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol is CCCC(C)(O)CNC(C)CCC=C(C)C.
What is the InChIKey of 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol?
The InChIKey is AIZQCDFAZVFZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-10-14(5,16)11-15-13(4)9-7-8-12(2)3/h8,13,15-16H,6-7,9-11H2,1-5H3.
What are the key properties of 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol?
2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol is sourced from PubChem (CID 115719450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).