(2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine

C10H16BrN — CID 155442209

IUPAC(2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine
SMILESC=C(/C=C\C)/C=C(/Br)CNCC
InChIInChI=1S/C10H16BrN/c1-4-6-9(3)7-10(11)8-12-5-2/h4,6-7,12H,3,5,8H2,1-2H3/b6-4-,10-7+
InChIKeyQULFXGIMFOGKAM-BSAFSDHNSA-N
MW230.15 g/mol
LogP3.01
Rot. Bonds5

About (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine

(2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine (PubChem CID 155442209) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine.

Molecular Properties

Compound Name(2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine
PubChem CID155442209
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name(2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine
SMILESC=C(/C=C\C)/C=C(/Br)CNCC
InChIInChI=1S/C10H16BrN/c1-4-6-9(3)7-10(11)8-12-5-2/h4,6-7,12H,3,5,8H2,1-2H3/b6-4-,10-7+
InChIKeyQULFXGIMFOGKAM-BSAFSDHNSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-1,1-difluoro-3-methylidenehexa-1,4-diene
CID 144675274
(2E,5Z)-N,2-dimethyl-4-methylidenehepta-2,5-dien-1-amine;N-[[6-(ethylaminomethyl)naphthalen-2-yl]methyl]ethanamine;N-methylmethanamine
CID 176555212
(NE)-N-[(4E,7Z)-4-methyl-6-methylidenenona-4,7-dien-3-ylidene]hydroxylamine
CID 89307445
(E)-N,2-diethylbut-2-en-1-amine
CID 144565288
ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
CID 143707502
(3Z)-2-bromopenta-1,3-diene
CID 89363869
5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene
CID 123219391
(2Z,4Z)-N,3-diethyl-2-(ethylideneamino)hexa-2,4-dien-1-amine
CID 167219855
(3E,5Z)-2,4-dibromohepta-1,3,5-triene
CID 156818612
(3E)-3-bromo-N-ethyl-5-methylhexa-1,3,5-trien-2-amine
CID 145268848
N-[(Z)-2-methylidenepent-3-enyl]formamide
CID 143724109
(2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 90142129

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine?
The IUPAC name of (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine (CID 155442209) is (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine.
What is the SMILES notation for (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine?
The canonical SMILES for (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine is C=C(/C=C\C)/C=C(/Br)CNCC.
What is the InChIKey of (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine?
The InChIKey is QULFXGIMFOGKAM-BSAFSDHNSA-N. The full InChI is InChI=1S/C10H16BrN/c1-4-6-9(3)7-10(11)8-12-5-2/h4,6-7,12H,3,5,8H2,1-2H3/b6-4-,10-7+.
What are the key properties of (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine?
(2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine has a molecular weight of 230.15 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-bromo-N-ethyl-4-methylidenehepta-2,5-dien-1-amine is sourced from PubChem (CID 155442209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).