3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol

C14H29NO — CID 115714732

IUPAC3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)CCC=C(C)C
InChIInChI=1S/C14H29NO/c1-6-14(16,7-2)11-15-13(5)10-8-9-12(3)4/h9,13,15-16H,6-8,10-11H2,1-5H3
InChIKeyDHBJKWWGVMKPRB-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.26
Rot. Bonds8

About 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol

3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol (PubChem CID 115714732) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol
PubChem CID115714732
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)CCC=C(C)C
InChIInChI=1S/C14H29NO/c1-6-14(16,7-2)11-15-13(5)10-8-9-12(3)4/h9,13,15-16H,6-8,10-11H2,1-5H3
InChIKeyDHBJKWWGVMKPRB-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 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol (CID 115714732) is 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC(C)CCC=C(C)C.
What is the InChIKey of 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol?
The InChIKey is DHBJKWWGVMKPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-14(16,7-2)11-15-13(5)10-8-9-12(3)4/h9,13,15-16H,6-8,10-11H2,1-5H3.
What are the key properties of 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol?
3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-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 3-[(6-methylhept-5-en-2-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 115714732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).