(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine

C8H14N2 — CID 145477828

IUPAC(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine
SMILESC=C/C=C(\N=C)C(C)NC
InChIInChI=1S/C8H14N2/c1-5-6-8(10-4)7(2)9-3/h5-7,9H,1,4H2,2-3H3/b8-6-
InChIKeyKQASOLNHGKLPSZ-VURMDHGXSA-N
MW138.21 g/mol
LogP1.36
Rot. Bonds4

About (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine

(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine (PubChem CID 145477828) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine
PubChem CID145477828
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine
SMILESC=C/C=C(\N=C)C(C)NC
InChIInChI=1S/C8H14N2/c1-5-6-8(10-4)7(2)9-3/h5-7,9H,1,4H2,2-3H3/b8-6-
InChIKeyKQASOLNHGKLPSZ-VURMDHGXSA-N
XLogP1.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
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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Related Compounds

(3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol
CID 177062750
(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine
CID 174193484
(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
CID 134266797
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109979
(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine
CID 90210922
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
CID 178046177
(3E)-3-ethenyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109843
(3E)-2-fluorohexa-3,5-dien-3-ol
CID 170094362
(3R)-3-(methylamino)but-1-en-2-ol
CID 59247912
(3E,5Z)-5-methyl-N-(methylideneamino)octa-1,3,5,7-tetraen-4-amine
CID 166800420
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine (CID 145477828) is (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine is C=C/C=C(\N=C)C(C)NC.
What is the InChIKey of (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine?
The InChIKey is KQASOLNHGKLPSZ-VURMDHGXSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-8(10-4)7(2)9-3/h5-7,9H,1,4H2,2-3H3/b8-6-.
What are the key properties of (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine?
(3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine has a molecular weight of 138.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-3-(methylideneamino)hexa-3,5-dien-2-amine is sourced from PubChem (CID 145477828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).