(Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine

C7H14N2 — CID 139359379

IUPAC(Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine
SMILESC=NN(/C=C\C)C(C)C
InChIInChI=1S/C7H14N2/c1-5-6-9(8-4)7(2)3/h5-7H,4H2,1-3H3/b6-5-
InChIKeyKIQVWNFPFMPCOG-WAYWQWQTSA-N
MW126.20 g/mol
LogP1.85
Rot. Bonds3

About (Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine

(Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine (PubChem CID 139359379) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine
PubChem CID139359379
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine
SMILESC=NN(/C=C\C)C(C)C
InChIInChI=1S/C7H14N2/c1-5-6-9(8-4)7(2)3/h5-7H,4H2,1-3H3/b6-5-
InChIKeyKIQVWNFPFMPCOG-WAYWQWQTSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine?
The IUPAC name of (Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine (CID 139359379) is (Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine.
What is the SMILES notation for (Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine?
The canonical SMILES for (Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine is C=NN(/C=C\C)C(C)C.
What is the InChIKey of (Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine?
The InChIKey is KIQVWNFPFMPCOG-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-6-9(8-4)7(2)3/h5-7H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine?
(Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(methylideneamino)-N-propan-2-ylprop-1-en-1-amine is sourced from PubChem (CID 139359379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).