(Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine

C7H15N3 — CID 118000559

IUPAC(Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine
SMILESC=NN/C(=C\N)C(C)(C)C
InChIInChI=1S/C7H15N3/c1-7(2,3)6(5-8)10-9-4/h5,10H,4,8H2,1-3H3/b6-5-
InChIKeyVNBLQUYFRZIGBQ-WAYWQWQTSA-N
MW141.22 g/mol
LogP1.04
Rot. Bonds2

About (Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine

(Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine (PubChem CID 118000559) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine
PubChem CID118000559
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine
SMILESC=NN/C(=C\N)C(C)(C)C
InChIInChI=1S/C7H15N3/c1-7(2,3)6(5-8)10-9-4/h5,10H,4,8H2,1-3H3/b6-5-
InChIKeyVNBLQUYFRZIGBQ-WAYWQWQTSA-N
XLogP1.04
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine?
The IUPAC name of (Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine (CID 118000559) is (Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine is C=NN/C(=C\N)C(C)(C)C.
What is the InChIKey of (Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine?
The InChIKey is VNBLQUYFRZIGBQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H15N3/c1-7(2,3)6(5-8)10-9-4/h5,10H,4,8H2,1-3H3/b6-5-.
What are the key properties of (Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine?
(Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine has a molecular weight of 141.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3-dimethyl-2-N-(methylideneamino)but-1-ene-1,2-diamine is sourced from PubChem (CID 118000559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).