(Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine

C9H19N3 — CID 170205759

IUPAC(Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine
SMILESC=NN/C(=C(\N)CC)C(C)(C)C
InChIInChI=1S/C9H19N3/c1-6-7(10)8(12-11-5)9(2,3)4/h12H,5-6,10H2,1-4H3/b8-7-
InChIKeySCDWFIVUBQRUKW-FPLPWBNLSA-N
MW169.27 g/mol
LogP1.82
Rot. Bonds3

About (Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine

(Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine (PubChem CID 170205759) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine.

Molecular Properties

Compound Name(Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine
PubChem CID170205759
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine
SMILESC=NN/C(=C(\N)CC)C(C)(C)C
InChIInChI=1S/C9H19N3/c1-6-7(10)8(12-11-5)9(2,3)4/h12H,5-6,10H2,1-4H3/b8-7-
InChIKeySCDWFIVUBQRUKW-FPLPWBNLSA-N
XLogP1.82
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.82
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)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine?
The IUPAC name of (Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine (CID 170205759) is (Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine.
What is the SMILES notation for (Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine?
The canonical SMILES for (Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine is C=NN/C(=C(\N)CC)C(C)(C)C.
What is the InChIKey of (Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine?
The InChIKey is SCDWFIVUBQRUKW-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H19N3/c1-6-7(10)8(12-11-5)9(2,3)4/h12H,5-6,10H2,1-4H3/b8-7-.
What are the key properties of (Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine?
(Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine has a molecular weight of 169.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dimethyl-3-N-(methylideneamino)hex-3-ene-3,4-diamine is sourced from PubChem (CID 170205759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).