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

C8H17N3 — CID 170021824

IUPAC(Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine
SMILESC=NN(C)/C=C(\N)C(C)(C)C
InChIInChI=1S/C8H17N3/c1-8(2,3)7(9)6-11(5)10-4/h6H,4,9H2,1-3,5H3/b7-6-
InChIKeyKHNZKYQDTROSMD-SREVYHEPSA-N
MW155.24 g/mol
LogP1.38
Rot. Bonds2

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

(Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine (PubChem CID 170021824) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine
PubChem CID170021824
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine
SMILESC=NN(C)/C=C(\N)C(C)(C)C
InChIInChI=1S/C8H17N3/c1-8(2,3)7(9)6-11(5)10-4/h6H,4,9H2,1-3,5H3/b7-6-
InChIKeyKHNZKYQDTROSMD-SREVYHEPSA-N
XLogP1.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
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)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine (CID 170021824) is (Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine is C=NN(C)/C=C(\N)C(C)(C)C.
What is the InChIKey of (Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine?
The InChIKey is KHNZKYQDTROSMD-SREVYHEPSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(2,3)7(9)6-11(5)10-4/h6H,4,9H2,1-3,5H3/b7-6-.
What are the key properties of (Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine?
(Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine has a molecular weight of 155.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N,3,3-trimethyl-1-N-(methylideneamino)but-1-ene-1,2-diamine is sourced from PubChem (CID 170021824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).