1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol

C8H18N2O — CID 87157834

IUPAC1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol
SMILESCC(C)=CC(CCN)C(N)O
InChIInChI=1S/C8H18N2O/c1-6(2)5-7(3-4-9)8(10)11/h5,7-8,11H,3-4,9-10H2,1-2H3
InChIKeyKDCXIZBHUVRMFI-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.19
Rot. Bonds4

About 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol

1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol (PubChem CID 87157834) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol.

Molecular Properties

Compound Name1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol
PubChem CID87157834
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol
SMILESCC(C)=CC(CCN)C(N)O
InChIInChI=1S/C8H18N2O/c1-6(2)5-7(3-4-9)8(10)11/h5,7-8,11H,3-4,9-10H2,1-2H3
InChIKeyKDCXIZBHUVRMFI-UHFFFAOYSA-N
XLogP0.19
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol?
The IUPAC name of 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol (CID 87157834) is 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol.
What is the SMILES notation for 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol?
The canonical SMILES for 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol is CC(C)=CC(CCN)C(N)O.
What is the InChIKey of 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol?
The InChIKey is KDCXIZBHUVRMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)5-7(3-4-9)8(10)11/h5,7-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol?
1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol has a molecular weight of 158.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol is sourced from PubChem (CID 87157834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).