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

C12H25NO — CID 115718632

IUPAC2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol
SMILESCC(C)=CCCC(C)NCC(C)(C)O
InChIInChI=1S/C12H25NO/c1-10(2)7-6-8-11(3)13-9-12(4,5)14/h7,11,13-14H,6,8-9H2,1-5H3
InChIKeyZKSVLKRORQVDOK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.48
Rot. Bonds6

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

2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol (PubChem CID 115718632) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol
PubChem CID115718632
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol
SMILESCC(C)=CCCC(C)NCC(C)(C)O
InChIInChI=1S/C12H25NO/c1-10(2)7-6-8-11(3)13-9-12(4,5)14/h7,11,13-14H,6,8-9H2,1-5H3
InChIKeyZKSVLKRORQVDOK-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.48
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)propan-2-ol?
The IUPAC name of 2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol (CID 115718632) is 2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol is CC(C)=CCCC(C)NCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol?
The InChIKey is ZKSVLKRORQVDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)7-6-8-11(3)13-9-12(4,5)14/h7,11,13-14H,6,8-9H2,1-5H3.
What are the key properties of 2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol?
2-methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.48, 6 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)propan-2-ol is sourced from PubChem (CID 115718632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).