2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol

C10H21NO — CID 147205425

IUPAC2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol
SMILESC=C(C)C(O)(CCC)CCNC
InChIInChI=1S/C10H21NO/c1-5-6-10(12,9(2)3)7-8-11-4/h11-12H,2,5-8H2,1,3-4H3
InChIKeyCEEBDDQJFBNVEL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds6

About 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol

2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol (PubChem CID 147205425) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol.

Molecular Properties

Compound Name2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol
PubChem CID147205425
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol
SMILESC=C(C)C(O)(CCC)CCNC
InChIInChI=1S/C10H21NO/c1-5-6-10(12,9(2)3)7-8-11-4/h11-12H,2,5-8H2,1,3-4H3
InChIKeyCEEBDDQJFBNVEL-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Butylamino)prop-1-en-2-yl]cyclohexan-1-ol
CID 10420692
4-Prop-1-en-2-ylpiperidin-4-ol
CID 79190995
4-(2-Methylprop-2-en-1-yl)piperidin-4-ol
CID 123241473
2,5-Dimethyl-4-(methylamino)hex-5-en-2-ol
CID 132227138
(4E)-2,3-dimethyl-4-(methylaminomethylidene)hex-1-en-3-ol
CID 169586302
1-Ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol
CID 6946755
1-Methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol
CID 7200437
2,3-Dimethyl-5-(methylamino)pent-1-en-3-ol
CID 79179306
5-(Ethylamino)-2,3-dimethylpent-1-en-3-ol
CID 79179535
2,3-Dimethyl-5-(propylamino)pent-1-en-3-ol
CID 79179732
2,3-Dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol
CID 79179943
5-(Tert-butylamino)-2,3-dimethylpent-1-en-3-ol
CID 79180136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol?
The IUPAC name of 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol (CID 147205425) is 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol.
What is the SMILES notation for 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol?
The canonical SMILES for 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol is C=C(C)C(O)(CCC)CCNC.
What is the InChIKey of 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol?
The InChIKey is CEEBDDQJFBNVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-10(12,9(2)3)7-8-11-4/h11-12H,2,5-8H2,1,3-4H3.
What are the key properties of 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol?
2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol is sourced from PubChem (CID 147205425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).