(Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol

C7H16N2O — CID 144518328

IUPAC(Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol
SMILESCN/C=C(\O)C(C)(C)CN
InChIInChI=1S/C7H16N2O/c1-7(2,5-8)6(10)4-9-3/h4,9-10H,5,8H2,1-3H3/b6-4-
InChIKeyJCIVDPNJFOCEIX-XQRVVYSFSA-N
MW144.22 g/mol
LogP0.59
Rot. Bonds3

About (Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol

(Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol (PubChem CID 144518328) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol.

Molecular Properties

Compound Name(Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol
PubChem CID144518328
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol
SMILESCN/C=C(\O)C(C)(C)CN
InChIInChI=1S/C7H16N2O/c1-7(2,5-8)6(10)4-9-3/h4,9-10H,5,8H2,1-3H3/b6-4-
InChIKeyJCIVDPNJFOCEIX-XQRVVYSFSA-N
XLogP0.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.59
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-3,3-dimethyl-1-(methylamino)but-1-en-2-ol?
The IUPAC name of (Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol (CID 144518328) is (Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol.
What is the SMILES notation for (Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol?
The canonical SMILES for (Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol is CN/C=C(\O)C(C)(C)CN.
What is the InChIKey of (Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol?
The InChIKey is JCIVDPNJFOCEIX-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2,5-8)6(10)4-9-3/h4,9-10H,5,8H2,1-3H3/b6-4-.
What are the key properties of (Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol?
(Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol has a molecular weight of 144.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-3,3-dimethyl-1-(methylamino)but-1-en-2-ol is sourced from PubChem (CID 144518328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).