3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol

C9H20N2O — CID 155330079

IUPAC3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol
SMILESCC(C)(C)/C(N)=C/NCCCO
InChIInChI=1S/C9H20N2O/c1-9(2,3)8(10)7-11-5-4-6-12/h7,11-12H,4-6,10H2,1-3H3/b8-7-
InChIKeyLDMVXKLOOWPVBD-FPLPWBNLSA-N
MW172.27 g/mol
LogP0.80
Rot. Bonds4

About 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol

3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol (PubChem CID 155330079) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol
PubChem CID155330079
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol
SMILESCC(C)(C)/C(N)=C/NCCCO
InChIInChI=1S/C9H20N2O/c1-9(2,3)8(10)7-11-5-4-6-12/h7,11-12H,4-6,10H2,1-3H3/b8-7-
InChIKeyLDMVXKLOOWPVBD-FPLPWBNLSA-N
XLogP0.80
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-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

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol?
The IUPAC name of 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol (CID 155330079) is 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol is CC(C)(C)/C(N)=C/NCCCO.
What is the InChIKey of 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol?
The InChIKey is LDMVXKLOOWPVBD-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,3)8(10)7-11-5-4-6-12/h7,11-12H,4-6,10H2,1-3H3/b8-7-.
What are the key properties of 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol?
3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-2-amino-3,3-dimethylbut-1-enyl]amino]propan-1-ol is sourced from PubChem (CID 155330079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).