(E)-N-ethyl-5-iminohex-3-en-1-amine

C8H16N2 — CID 129045484

IUPAC(E)-N-ethyl-5-iminohex-3-en-1-amine
SMILES[H]/N=C(C)/C=C/CCNCC
InChIInChI=1S/C8H16N2/c1-3-10-7-5-4-6-8(2)9/h4,6,9-10H,3,5,7H2,1-2H3/b6-4+,9-8+
InChIKeyMJPXXBRTRCMFDG-ICNYKPIKSA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds5

About (E)-N-ethyl-5-iminohex-3-en-1-amine

(E)-N-ethyl-5-iminohex-3-en-1-amine (PubChem CID 129045484) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-N-ethyl-5-iminohex-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-5-iminohex-3-en-1-amine
PubChem CID129045484
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-N-ethyl-5-iminohex-3-en-1-amine
SMILES[H]/N=C(C)/C=C/CCNCC
InChIInChI=1S/C8H16N2/c1-3-10-7-5-4-6-8(2)9/h4,6,9-10H,3,5,7H2,1-2H3/b6-4+,9-8+
InChIKeyMJPXXBRTRCMFDG-ICNYKPIKSA-N
XLogP1.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
CID 25137124
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 53435576
4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907
2,6-dihydro-1H-pyridin-1-ium-3-imine
CID 57053248
(4-Iminocyclohexa-2,5-dien-1-yl)-dimethylazanium
CID 59831277
(4-Aminocyclohexa-2,5-dien-1-ylidene)-diethylazanium
CID 60040659

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-5-iminohex-3-en-1-amine?
The IUPAC name of (E)-N-ethyl-5-iminohex-3-en-1-amine (CID 129045484) is (E)-N-ethyl-5-iminohex-3-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-5-iminohex-3-en-1-amine?
The canonical SMILES for (E)-N-ethyl-5-iminohex-3-en-1-amine is [H]/N=C(C)/C=C/CCNCC.
What is the InChIKey of (E)-N-ethyl-5-iminohex-3-en-1-amine?
The InChIKey is MJPXXBRTRCMFDG-ICNYKPIKSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-10-7-5-4-6-8(2)9/h4,6,9-10H,3,5,7H2,1-2H3/b6-4+,9-8+.
What are the key properties of (E)-N-ethyl-5-iminohex-3-en-1-amine?
(E)-N-ethyl-5-iminohex-3-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-5-iminohex-3-en-1-amine is sourced from PubChem (CID 129045484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).