(Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol

C8H18N2O — CID 139338803

IUPAC(Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol
SMILESCC(C)N/C=C(\O)C(C)CN
InChIInChI=1S/C8H18N2O/c1-6(2)10-5-8(11)7(3)4-9/h5-7,10-11H,4,9H2,1-3H3/b8-5-
InChIKeyZTDVBHQHMKNWGF-YVMONPNESA-N
MW158.24 g/mol
LogP0.98
Rot. Bonds4

About (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol

(Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol (PubChem CID 139338803) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol.

Molecular Properties

Compound Name(Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol
PubChem CID139338803
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol
SMILESCC(C)N/C=C(\O)C(C)CN
InChIInChI=1S/C8H18N2O/c1-6(2)10-5-8(11)7(3)4-9/h5-7,10-11H,4,9H2,1-3H3/b8-5-
InChIKeyZTDVBHQHMKNWGF-YVMONPNESA-N
XLogP0.98
TPSA58.28 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 ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol?
The IUPAC name of (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol (CID 139338803) is (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol.
What is the SMILES notation for (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol?
The canonical SMILES for (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol is CC(C)N/C=C(\O)C(C)CN.
What is the InChIKey of (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol?
The InChIKey is ZTDVBHQHMKNWGF-YVMONPNESA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)10-5-8(11)7(3)4-9/h5-7,10-11H,4,9H2,1-3H3/b8-5-.
What are the key properties of (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol?
(Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol has a molecular weight of 158.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-3-methyl-1-(propan-2-ylamino)but-1-en-2-ol is sourced from PubChem (CID 139338803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).