4-methylidene-2-(methylideneamino)hex-2-en-1-amine

C8H14N2 — CID 123181635

IUPAC4-methylidene-2-(methylideneamino)hex-2-en-1-amine
SMILESC=NC(=CC(=C)CC)CN
InChIInChI=1S/C8H14N2/c1-4-7(2)5-8(6-9)10-3/h5H,2-4,6,9H2,1H3
InChIKeyDEFHEFCHXTVHDW-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds4

About 4-methylidene-2-(methylideneamino)hex-2-en-1-amine

4-methylidene-2-(methylideneamino)hex-2-en-1-amine (PubChem CID 123181635) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-methylidene-2-(methylideneamino)hex-2-en-1-amine.

Molecular Properties

Compound Name4-methylidene-2-(methylideneamino)hex-2-en-1-amine
PubChem CID123181635
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-methylidene-2-(methylideneamino)hex-2-en-1-amine
SMILESC=NC(=CC(=C)CC)CN
InChIInChI=1S/C8H14N2/c1-4-7(2)5-8(6-9)10-3/h5H,2-4,6,9H2,1H3
InChIKeyDEFHEFCHXTVHDW-UHFFFAOYSA-N
XLogP1.50
TPSA38.38 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 ≤ 51.50
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

(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 145224791
(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
CID 153350435
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
CID 88995130
2-Butylidene-5-[1-(methylideneamino)ethylidene]nona-3,6-diene-1,9-diamine
CID 91291281
3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine
CID 123814073
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide
CID 126717103
(5-Propan-2-yl-1-azacyclohepta-2,4,6,7-tetraen-2-yl)methanamine
CID 132120706
(3E,5Z)-4-ethyl-3-(ethylideneamino)-5-methylocta-1,3,5,7-tetraen-2-amine
CID 134419908
(3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine
CID 137457994
(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
CID 142082739
(2Z)-N,4-dimethyl-2-(methylideneamino)penta-2,4-dien-1-amine;ethane
CID 142082836

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-(methylideneamino)hex-2-en-1-amine?
The IUPAC name of 4-methylidene-2-(methylideneamino)hex-2-en-1-amine (CID 123181635) is 4-methylidene-2-(methylideneamino)hex-2-en-1-amine.
What is the SMILES notation for 4-methylidene-2-(methylideneamino)hex-2-en-1-amine?
The canonical SMILES for 4-methylidene-2-(methylideneamino)hex-2-en-1-amine is C=NC(=CC(=C)CC)CN.
What is the InChIKey of 4-methylidene-2-(methylideneamino)hex-2-en-1-amine?
The InChIKey is DEFHEFCHXTVHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-7(2)5-8(6-9)10-3/h5H,2-4,6,9H2,1H3.
What are the key properties of 4-methylidene-2-(methylideneamino)hex-2-en-1-amine?
4-methylidene-2-(methylideneamino)hex-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-(methylideneamino)hex-2-en-1-amine is sourced from PubChem (CID 123181635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).