(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine

C9H16N2 — CID 143487310

IUPAC(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine
SMILESC=C(/C=C\N=C\C)NC(C)C
InChIInChI=1S/C9H16N2/c1-5-10-7-6-9(4)11-8(2)3/h5-8,11H,4H2,1-3H3/b7-6-,10-5+
InChIKeyHMDYBKKQXXFDJX-JQEGGOPCSA-N
MW152.24 g/mol
LogP2.10
Rot. Bonds4

About (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine

(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine (PubChem CID 143487310) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine
PubChem CID143487310
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine
SMILESC=C(/C=C\N=C\C)NC(C)C
InChIInChI=1S/C9H16N2/c1-5-10-7-6-9(4)11-8(2)3/h5-8,11H,4H2,1-3H3/b7-6-,10-5+
InChIKeyHMDYBKKQXXFDJX-JQEGGOPCSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.10
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

(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325
(3Z)-4-(ethylideneamino)buta-1,3-dien-2-ol
CID 143328048
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
(3E)-N-propan-2-ylhexa-1,3-dien-2-amine
CID 126487478
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460
(3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine
CID 144821177
(Z,2S)-6-(ethylideneamino)-2-(methoxycarbonylamino)-4-methylidenehex-5-enoic acid
CID 90261722
(Z)-4-N-ethylidene-2-N-[(Z)-4-methylpent-2-en-3-yl]but-3-ene-2,4-diimine
CID 156793413
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 142064369
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 142520948
[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl] propanoate
CID 167131411
(Z)-4-(ethylideneamino)-1-hydrazinyl-2-methylbut-3-en-1-ol
CID 138748743

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine (CID 143487310) is (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine is C=C(/C=C\N=C\C)NC(C)C.
What is the InChIKey of (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine?
The InChIKey is HMDYBKKQXXFDJX-JQEGGOPCSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-10-7-6-9(4)11-8(2)3/h5-8,11H,4H2,1-3H3/b7-6-,10-5+.
What are the key properties of (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine?
(3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine has a molecular weight of 152.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(ethylideneamino)-N-propan-2-ylbuta-1,3-dien-2-amine is sourced from PubChem (CID 143487310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).