1-amino-2-ethenyl-3-methylpentan-1-ol

C8H17NO — CID 90811713

IUPAC1-amino-2-ethenyl-3-methylpentan-1-ol
SMILESC=CC(C(N)O)C(C)CC
InChIInChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h5-8,10H,2,4,9H2,1,3H3
InChIKeyGKVUPMXVOGKLHP-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.11
Rot. Bonds4

About 1-amino-2-ethenyl-3-methylpentan-1-ol

1-amino-2-ethenyl-3-methylpentan-1-ol (PubChem CID 90811713) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-amino-2-ethenyl-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-amino-2-ethenyl-3-methylpentan-1-ol
PubChem CID90811713
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-amino-2-ethenyl-3-methylpentan-1-ol
SMILESC=CC(C(N)O)C(C)CC
InChIInChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h5-8,10H,2,4,9H2,1,3H3
InChIKeyGKVUPMXVOGKLHP-UHFFFAOYSA-N
XLogP1.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-methyl-7-propan-2-ylnon-8-en-1-ol
CID 19790828
6-Amino-2-prop-2-enylhexan-1-ol
CID 19874774
1-Amino-2-prop-2-enylpent-4-en-1-ol
CID 87199237
1-Amino-3-prop-2-enylhex-5-en-1-ol
CID 87793067
1-Amino-2-propylpent-4-en-1-ol
CID 88029329
3-Amino-2-propylpent-4-en-1-ol
CID 88083817
2-Ethenyl-4-methyl-1-(methylamino)pentan-1-ol
CID 90938856
1-Amino-2-propan-2-ylbut-3-en-1-ol
CID 91085815
1-Amino-7-methyloct-5-en-1-ol
CID 123302789
2-(Aminomethyl)hept-6-en-1-ol
CID 132039968
(E)-2-(aminomethyl)oct-5-en-1-ol
CID 139365754
(1S,2S,7S)-1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol
CID 140368184

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethenyl-3-methylpentan-1-ol?
The IUPAC name of 1-amino-2-ethenyl-3-methylpentan-1-ol (CID 90811713) is 1-amino-2-ethenyl-3-methylpentan-1-ol.
What is the SMILES notation for 1-amino-2-ethenyl-3-methylpentan-1-ol?
The canonical SMILES for 1-amino-2-ethenyl-3-methylpentan-1-ol is C=CC(C(N)O)C(C)CC.
What is the InChIKey of 1-amino-2-ethenyl-3-methylpentan-1-ol?
The InChIKey is GKVUPMXVOGKLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h5-8,10H,2,4,9H2,1,3H3.
What are the key properties of 1-amino-2-ethenyl-3-methylpentan-1-ol?
1-amino-2-ethenyl-3-methylpentan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethenyl-3-methylpentan-1-ol is sourced from PubChem (CID 90811713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).