(3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine

C8H14N2 — CID 146327197

IUPAC(3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine
SMILESC=C/C(N)=C(/C)N=C(C)C
InChIInChI=1S/C8H14N2/c1-5-8(9)7(4)10-6(2)3/h5H,1,9H2,2-4H3/b8-7+
InChIKeyKYKQDUZIIVPFJA-BQYQJAHWSA-N
MW138.21 g/mol
LogP1.84
Rot. Bonds2

About (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine

(3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine (PubChem CID 146327197) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine
PubChem CID146327197
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine
SMILESC=C/C(N)=C(/C)N=C(C)C
InChIInChI=1S/C8H14N2/c1-5-8(9)7(4)10-6(2)3/h5H,1,9H2,2-4H3/b8-7+
InChIKeyKYKQDUZIIVPFJA-BQYQJAHWSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.84
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

ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361
acetic acid;(3Z)-4-aminohexa-1,3,5-trien-3-ol
CID 142913066
ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine
CID 143677129
(3E,5Z)-4-methylnona-1,3,5-trien-3-amine
CID 126687303
azanium;prop-2-enamide;acetate
CID 172806462
2-(1-aminoprop-2-enylidene)propanedinitrile
CID 18620400
sodium;prop-2-enamide;acetate
CID 87656488
(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane
CID 143722331
acetamide;prop-2-enamide
CID 158566181
3-methylpenta-2,4-dien-2-amine
CID 141358440
(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144610850

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine?
The IUPAC name of (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine (CID 146327197) is (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine?
The canonical SMILES for (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine is C=C/C(N)=C(/C)N=C(C)C.
What is the InChIKey of (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine?
The InChIKey is KYKQDUZIIVPFJA-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(9)7(4)10-6(2)3/h5H,1,9H2,2-4H3/b8-7+.
What are the key properties of (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine?
(3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine has a molecular weight of 138.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine is sourced from PubChem (CID 146327197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).