6-(3-methylbut-2-enylamino)hexan-1-ol

C11H23NO — CID 106547380

IUPAC6-(3-methylbut-2-enylamino)hexan-1-ol
SMILESCC(C)=CCNCCCCCCO
InChIInChI=1S/C11H23NO/c1-11(2)7-9-12-8-5-3-4-6-10-13/h7,12-13H,3-6,8-10H2,1-2H3
InChIKeyHDQLIGIWCPVRJP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds8

About 6-(3-methylbut-2-enylamino)hexan-1-ol

6-(3-methylbut-2-enylamino)hexan-1-ol (PubChem CID 106547380) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-(3-methylbut-2-enylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(3-methylbut-2-enylamino)hexan-1-ol
PubChem CID106547380
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-(3-methylbut-2-enylamino)hexan-1-ol
SMILESCC(C)=CCNCCCCCCO
InChIInChI=1S/C11H23NO/c1-11(2)7-9-12-8-5-3-4-6-10-13/h7,12-13H,3-6,8-10H2,1-2H3
InChIKeyHDQLIGIWCPVRJP-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.09
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

N-(3-methylbut-2-enyl)decan-1-amine
CID 107900086
5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine
CID 107901319
4-(5-hydroxypentylamino)-2-methylbut-2-enoic acid
CID 107318225
N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 107899865
7-(prop-2-enylamino)heptan-1-ol
CID 87378145
5-(prop-2-enylamino)pentan-1-ol
CID 62228256
2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
CID 142908035
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
3-methyl-N-(3-methylsulfanylpropyl)but-2-en-1-amine
CID 106547202
4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol
CID 106547377
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine
CID 106547392

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-2-enylamino)hexan-1-ol?
The IUPAC name of 6-(3-methylbut-2-enylamino)hexan-1-ol (CID 106547380) is 6-(3-methylbut-2-enylamino)hexan-1-ol.
What is the SMILES notation for 6-(3-methylbut-2-enylamino)hexan-1-ol?
The canonical SMILES for 6-(3-methylbut-2-enylamino)hexan-1-ol is CC(C)=CCNCCCCCCO.
What is the InChIKey of 6-(3-methylbut-2-enylamino)hexan-1-ol?
The InChIKey is HDQLIGIWCPVRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2)7-9-12-8-5-3-4-6-10-13/h7,12-13H,3-6,8-10H2,1-2H3.
What are the key properties of 6-(3-methylbut-2-enylamino)hexan-1-ol?
6-(3-methylbut-2-enylamino)hexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-2-enylamino)hexan-1-ol is sourced from PubChem (CID 106547380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).