(1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine

C9H16N2 — CID 142451889

IUPAC(1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C)N(C)C(C)C
InChIInChI=1S/C9H16N2/c1-6-7-9(10-4)11(5)8(2)3/h6-8H,1,4H2,2-3,5H3/b9-7+
InChIKeyBEJKOUMAHSCTLK-VQHVLOKHSA-N
MW152.24 g/mol
LogP2.05
Rot. Bonds4

About (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine

(1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine (PubChem CID 142451889) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine
PubChem CID142451889
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C)N(C)C(C)C
InChIInChI=1S/C9H16N2/c1-6-7-9(10-4)11(5)8(2)3/h6-8H,1,4H2,2-3,5H3/b9-7+
InChIKeyBEJKOUMAHSCTLK-VQHVLOKHSA-N
XLogP2.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine (CID 142451889) is (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine is C=C/C=C(\N=C)N(C)C(C)C.
What is the InChIKey of (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine?
The InChIKey is BEJKOUMAHSCTLK-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-7-9(10-4)11(5)8(2)3/h6-8H,1,4H2,2-3,5H3/b9-7+.
What are the key properties of (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine?
(1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 142451889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).