2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine

C19H36N2 — CID 123239793

IUPAC2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine
SMILESCCCCC(C=C(C)/N=C/C(=C\CC(C)CC)CC)NC
InChIInChI=1S/C19H36N2/c1-7-10-11-19(20-6)14-17(5)21-15-18(9-3)13-12-16(4)8-2/h13-16,19-20H,7-12H2,1-6H3/b17-14?,18-13-,21-15+
InChIKeyMITLHEATZSXCOL-GBBCXWEWSA-N
MW292.51 g/mol
LogP5.51
Rot. Bonds11

About 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine

2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine (PubChem CID 123239793) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine.

Molecular Properties

Compound Name2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine
PubChem CID123239793
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine
SMILESCCCCC(C=C(C)/N=C/C(=C\CC(C)CC)CC)NC
InChIInChI=1S/C19H36N2/c1-7-10-11-19(20-6)14-17(5)21-15-18(9-3)13-12-16(4)8-2/h13-16,19-20H,7-12H2,1-6H3/b17-14?,18-13-,21-15+
InChIKeyMITLHEATZSXCOL-GBBCXWEWSA-N
XLogP5.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.51
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

(2E)-2-(ethylideneamino)-N,5-dimethylnona-2,8-dien-4-amine
CID 89503467
N-methyl-7-[4-(4-methylhexyl)-2H-pyrrol-2-yl]heptan-2-amine
CID 123270462
N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine
CID 123919390
N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]prop-1-en-2-amine
CID 129016785
(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine
CID 134339579
(2Z)-N-[(E)-but-2-en-2-yl]-2-ethylidenehexan-1-imine;ethanamine;ethane;2-methylpentane
CID 141876627
buta-1,3-diene;N-[(2Z,5E)-4-methylimino-5-(methyliminomethyl)-3-propan-2-ylhepta-2,5-dien-2-yl]cyclohexanamine;propane
CID 144055124
N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane
CID 145198414
ethane;N-[(3E)-2-methanimidoyl-6-methylhepta-1,3,5-trien-3-yl]-4-methylcyclohexan-1-amine
CID 145652736
(4S)-4-[(E)-but-2-en-2-yl]-N-methyl-4,5-dihydro-3H-azepin-6-amine
CID 163592619
6-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 166571557
(Z,5Z)-4-ethyl-6-methylidene-9-methylimino-5-(2-methylpropylidene)-N-prop-1-en-2-ylnon-7-en-1-amine
CID 167169105

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine?
The IUPAC name of 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine (CID 123239793) is 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine.
What is the SMILES notation for 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine?
The canonical SMILES for 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine is CCCCC(C=C(C)/N=C/C(=C\CC(C)CC)CC)NC.
What is the InChIKey of 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine?
The InChIKey is MITLHEATZSXCOL-GBBCXWEWSA-N. The full InChI is InChI=1S/C19H36N2/c1-7-10-11-19(20-6)14-17(5)21-15-18(9-3)13-12-16(4)8-2/h13-16,19-20H,7-12H2,1-6H3/b17-14?,18-13-,21-15+.
What are the key properties of 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine?
2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine has a molecular weight of 292.51 g/mol, XLogP of 5.51, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine is sourced from PubChem (CID 123239793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).