(3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine

C8H14N2 — CID 143743611

IUPAC(3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine
SMILESC=NCN(C)C(=C)/C=C\C
InChIInChI=1S/C8H14N2/c1-5-6-8(2)10(4)7-9-3/h5-6H,2-3,7H2,1,4H3/b6-5-
InChIKeyKMFZBNCYEQUYKT-WAYWQWQTSA-N
MW138.21 g/mol
LogP1.67
Rot. Bonds4

About (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine

(3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine (PubChem CID 143743611) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine
PubChem CID143743611
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine
SMILESC=NCN(C)C(=C)/C=C\C
InChIInChI=1S/C8H14N2/c1-5-6-8(2)10(4)7-9-3/h5-6H,2-3,7H2,1,4H3/b6-5-
InChIKeyKMFZBNCYEQUYKT-WAYWQWQTSA-N
XLogP1.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.67
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 (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine (CID 143743611) is (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine is C=NCN(C)C(=C)/C=C\C.
What is the InChIKey of (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine?
The InChIKey is KMFZBNCYEQUYKT-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-8(2)10(4)7-9-3/h5-6H,2-3,7H2,1,4H3/b6-5-.
What are the key properties of (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine?
(3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine has a molecular weight of 138.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-N-[(methylideneamino)methyl]penta-1,3-dien-2-amine is sourced from PubChem (CID 143743611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).