ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol

C10H23NO — CID 143024131

IUPACethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol
SMILESCC.CC[C@@H](/C=C(\C)CO)NC
InChIInChI=1S/C8H17NO.C2H6/c1-4-8(9-3)5-7(2)6-10;1-2/h5,8-10H,4,6H2,1-3H3;1-2H3/b7-5+;/t8-;/m0./s1
InChIKeyVCHCNUQAIJNTMT-FPOHDNNASA-N
MW173.30 g/mol
LogP1.95
Rot. Bonds4

About ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol

ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol (PubChem CID 143024131) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol.

Molecular Properties

Compound Nameethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol
PubChem CID143024131
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol
SMILESCC.CC[C@@H](/C=C(\C)CO)NC
InChIInChI=1S/C8H17NO.C2H6/c1-4-8(9-3)5-7(2)6-10;1-2/h5,8-10H,4,6H2,1-3H3;1-2H3/b7-5+;/t8-;/m0./s1
InChIKeyVCHCNUQAIJNTMT-FPOHDNNASA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.95
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

2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
CID 13492930
2-(3,7-Dimethylocta-2,6-dienylamino)propan-1-ol
CID 54199179
2-Methyl-6-(methylamino)hept-2-en-1-ol
CID 54551357
(+/-)-5-Methyl-1-methylamino-hex-4-en-3-ol
CID 55288000
9-(Cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 70435118
Amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 70668155
(3-Aminocyclohexa-1,5-dien-1-yl)-[di(propan-2-yl)amino]methanol
CID 70892384
(E)-4-(dimethylamino)-2,5-dimethylhex-2-en-1-ol
CID 87065083
(2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 88662138
(5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol
CID 89038763
[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
CID 89153849
1-[[(5Z)-hepta-1,5-dien-3-yl]amino]propan-1-ol
CID 89256469

Frequently Asked Questions

What is the IUPAC name of ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol?
The IUPAC name of ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol (CID 143024131) is ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol.
What is the SMILES notation for ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol?
The canonical SMILES for ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol is CC.CC[C@@H](/C=C(\C)CO)NC.
What is the InChIKey of ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol?
The InChIKey is VCHCNUQAIJNTMT-FPOHDNNASA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-4-8(9-3)5-7(2)6-10;1-2/h5,8-10H,4,6H2,1-3H3;1-2H3/b7-5+;/t8-;/m0./s1.
What are the key properties of ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol?
ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,4S)-2-methyl-4-(methylamino)hex-2-en-1-ol is sourced from PubChem (CID 143024131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).