ethane;4-methyl-2-(methylamino)pent-4-en-1-ol

C11H27NO — CID 142030684

IUPACethane;4-methyl-2-(methylamino)pent-4-en-1-ol
SMILESC=C(C)CC(CO)NC.CC.CC
InChIInChI=1S/C7H15NO.2C2H6/c1-6(2)4-7(5-9)8-3;2*1-2/h7-9H,1,4-5H2,2-3H3;2*1-2H3
InChIKeyCNXNMTAZBIVPTQ-UHFFFAOYSA-N
MW189.34 g/mol
LogP2.59
Rot. Bonds4

About ethane;4-methyl-2-(methylamino)pent-4-en-1-ol

ethane;4-methyl-2-(methylamino)pent-4-en-1-ol (PubChem CID 142030684) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is ethane;4-methyl-2-(methylamino)pent-4-en-1-ol.

Molecular Properties

Compound Nameethane;4-methyl-2-(methylamino)pent-4-en-1-ol
PubChem CID142030684
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nameethane;4-methyl-2-(methylamino)pent-4-en-1-ol
SMILESC=C(C)CC(CO)NC.CC.CC
InChIInChI=1S/C7H15NO.2C2H6/c1-6(2)4-7(5-9)8-3;2*1-2/h7-9H,1,4-5H2,2-3H3;2*1-2H3
InChIKeyCNXNMTAZBIVPTQ-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;4-methyl-2-(methylamino)pent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-N,5-dimethylhex-5-en-3-amine
CID 79180164
N,4-dimethyl-1-propan-2-yloxypent-4-en-2-amine
CID 105162913
N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine
CID 79185838
1-cyclobutyl-N,4-dimethylpent-4-en-2-amine
CID 103169029
1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79185315
methyl (3R)-4-hydroxy-3-(methylamino)butanoate
CID 88981665
N,2,5-trimethylhexa-1,5-dien-3-amine
CID 130348735
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136
[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate
CID 147479028
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
2,4-dimethylpent-1-ene;ethane
CID 143336990
5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal
CID 59438921

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(methylamino)pent-4-en-1-ol?
The IUPAC name of ethane;4-methyl-2-(methylamino)pent-4-en-1-ol (CID 142030684) is ethane;4-methyl-2-(methylamino)pent-4-en-1-ol.
What is the SMILES notation for ethane;4-methyl-2-(methylamino)pent-4-en-1-ol?
The canonical SMILES for ethane;4-methyl-2-(methylamino)pent-4-en-1-ol is C=C(C)CC(CO)NC.CC.CC.
What is the InChIKey of ethane;4-methyl-2-(methylamino)pent-4-en-1-ol?
The InChIKey is CNXNMTAZBIVPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.2C2H6/c1-6(2)4-7(5-9)8-3;2*1-2/h7-9H,1,4-5H2,2-3H3;2*1-2H3.
What are the key properties of ethane;4-methyl-2-(methylamino)pent-4-en-1-ol?
ethane;4-methyl-2-(methylamino)pent-4-en-1-ol has a molecular weight of 189.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(methylamino)pent-4-en-1-ol is sourced from PubChem (CID 142030684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).