(1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine

C10H16N2 — CID 142820034

IUPAC(1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C/NC/N=C(\C)C=C
InChIInChI=1S/C10H16N2/c1-5-9(3)7-11-8-12-10(4)6-2/h5-7,11H,1-2,8H2,3-4H3/b9-7+,12-10+
InChIKeyXJWUMUHDUHCBFY-LKJUMTHSSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds5

About (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine

(1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine (PubChem CID 142820034) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine
PubChem CID142820034
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C/NC/N=C(\C)C=C
InChIInChI=1S/C10H16N2/c1-5-9(3)7-11-8-12-10(4)6-2/h5-7,11H,1-2,8H2,3-4H3/b9-7+,12-10+
InChIKeyXJWUMUHDUHCBFY-LKJUMTHSSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-N-tert-butyl-2-methylbuta-1,3-dien-1-amine
CID 169228659
N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 142811977
2-(but-3-en-2-ylideneamino)-N-propylacetamide
CID 123402459
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
CID 126710731
N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 143289392
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
(E)-N-methoxybut-3-en-2-imine
CID 142905738
3-methylpenta-2,4-dien-1-ol
CID 534959
N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine
CID 143570825
(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 143646233
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803

Frequently Asked Questions

What is the IUPAC name of (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine (CID 142820034) is (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine is C=C/C(C)=C/NC/N=C(\C)C=C.
What is the InChIKey of (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine?
The InChIKey is XJWUMUHDUHCBFY-LKJUMTHSSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9(3)7-11-8-12-10(4)6-2/h5-7,11H,1-2,8H2,3-4H3/b9-7+,12-10+.
What are the key properties of (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine?
(1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[[(E)-but-3-en-2-ylideneamino]methyl]-2-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 142820034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).