ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine

C13H30N2 — CID 153355543

IUPACethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC.CC.CC/N=C(C)/C(CC)=C(/C)N
InChIInChI=1S/C9H18N2.2C2H6/c1-5-9(7(3)10)8(4)11-6-2;2*1-2/h5-6,10H2,1-4H3;2*1-2H3/b9-7-,11-8+;;
InChIKeyWDAWMLZZVDSBPU-IXVMOWIFSA-N
MW214.40 g/mol
LogP4.16
Rot. Bonds3

About ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine

ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine (PubChem CID 153355543) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine
PubChem CID153355543
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Nameethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC.CC.CC/N=C(C)/C(CC)=C(/C)N
InChIInChI=1S/C9H18N2.2C2H6/c1-5-9(7(3)10)8(4)11-6-2;2*1-2/h5-6,10H2,1-4H3;2*1-2H3/b9-7-,11-8+;;
InChIKeyWDAWMLZZVDSBPU-IXVMOWIFSA-N
XLogP4.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 18725311
(Z)-3-methyl-4-methyliminopent-2-en-2-amine
CID 59104563
methyl-[(Z)-3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59932858
Methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59955792
N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 59955793
3-Methyl-4-methyliminopent-2-en-2-amine
CID 72517933
(1Z)-1-(5-methylimino-2,3-dihydropyridin-4-ylidene)ethanamine
CID 89510152
4-(C,N-dimethylcarbonimidoyl)-2,3-dihydropyridin-5-amine
CID 89510154
(Z)-4-(methyliminomethyl)hex-3-en-3-amine
CID 90299196
(E)-4-ethenylimino-3-methylpent-2-en-2-amine
CID 101570556
2-Methyl-4-pentan-2-yliminopent-2-en-3-amine
CID 123336491
(E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine
CID 123601744

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine?
The IUPAC name of ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine (CID 153355543) is ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine?
The canonical SMILES for ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine is CC.CC.CC/N=C(C)/C(CC)=C(/C)N.
What is the InChIKey of ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine?
The InChIKey is WDAWMLZZVDSBPU-IXVMOWIFSA-N. The full InChI is InChI=1S/C9H18N2.2C2H6/c1-5-9(7(3)10)8(4)11-6-2;2*1-2/h5-6,10H2,1-4H3;2*1-2H3/b9-7-,11-8+;;.
What are the key properties of ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine?
ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine has a molecular weight of 214.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine is sourced from PubChem (CID 153355543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).