1-[di(propan-2-yl)amino]hex-5-en-2-ol

C12H25NO — CID 22975448

IUPAC1-[di(propan-2-yl)amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-6-7-8-12(14)9-13(10(2)3)11(4)5/h6,10-12,14H,1,7-9H2,2-5H3
InChIKeyPCRSSPIWCVAEKG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.43
Rot. Bonds7

About 1-[di(propan-2-yl)amino]hex-5-en-2-ol

1-[di(propan-2-yl)amino]hex-5-en-2-ol (PubChem CID 22975448) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]hex-5-en-2-ol
PubChem CID22975448
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[di(propan-2-yl)amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-6-7-8-12(14)9-13(10(2)3)11(4)5/h6,10-12,14H,1,7-9H2,2-5H3
InChIKeyPCRSSPIWCVAEKG-UHFFFAOYSA-N
XLogP2.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
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 1-[di(propan-2-yl)amino]hex-5-en-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]hex-5-en-2-ol (CID 22975448) is 1-[di(propan-2-yl)amino]hex-5-en-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]hex-5-en-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]hex-5-en-2-ol is C=CCCC(O)CN(C(C)C)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]hex-5-en-2-ol?
The InChIKey is PCRSSPIWCVAEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-7-8-12(14)9-13(10(2)3)11(4)5/h6,10-12,14H,1,7-9H2,2-5H3.
What are the key properties of 1-[di(propan-2-yl)amino]hex-5-en-2-ol?
1-[di(propan-2-yl)amino]hex-5-en-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]hex-5-en-2-ol is sourced from PubChem (CID 22975448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).