(Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine

C8H20N4 — CID 134241550

IUPAC(Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
SMILESCC(C)N(N)/C=C(\N)CN(C)C
InChIInChI=1S/C8H20N4/c1-7(2)12(10)6-8(9)5-11(3)4/h6-7H,5,9-10H2,1-4H3/b8-6-
InChIKeyVYVSQHWHXRRFOT-VURMDHGXSA-N
MW172.28 g/mol
LogP-0.07
Rot. Bonds4

About (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine

(Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine (PubChem CID 134241550) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
PubChem CID134241550
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name(Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
SMILESCC(C)N(N)/C=C(\N)CN(C)C
InChIInChI=1S/C8H20N4/c1-7(2)12(10)6-8(9)5-11(3)4/h6-7H,5,9-10H2,1-4H3/b8-6-
InChIKeyVYVSQHWHXRRFOT-VURMDHGXSA-N
XLogP-0.07
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?
The IUPAC name of (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine (CID 134241550) is (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?
The canonical SMILES for (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine is CC(C)N(N)/C=C(\N)CN(C)C.
What is the InChIKey of (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?
The InChIKey is VYVSQHWHXRRFOT-VURMDHGXSA-N. The full InChI is InChI=1S/C8H20N4/c1-7(2)12(10)6-8(9)5-11(3)4/h6-7H,5,9-10H2,1-4H3/b8-6-.
What are the key properties of (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?
(Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine has a molecular weight of 172.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[amino(propan-2-yl)amino]-1-N,1-N-dimethylprop-2-ene-1,2-diamine is sourced from PubChem (CID 134241550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).