N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine

C15H30N2 — CID 123998295

IUPACN,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
SMILESCCNCCC(C)=CC(CC)CCC/C=N/C
InChIInChI=1S/C15H30N2/c1-5-15(9-7-8-11-16-4)13-14(3)10-12-17-6-2/h11,13,15,17H,5-10,12H2,1-4H3/b14-13?,16-11+
InChIKeyCYLUCUCDPQTFES-FFIWORBZSA-N
MW238.42 g/mol
LogP3.83
Rot. Bonds10

About N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine

N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine (PubChem CID 123998295) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine.

Molecular Properties

Compound NameN,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
PubChem CID123998295
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
SMILESCCNCCC(C)=CC(CC)CCC/C=N/C
InChIInChI=1S/C15H30N2/c1-5-15(9-7-8-11-16-4)13-14(3)10-12-17-6-2/h11,13,15,17H,5-10,12H2,1-4H3/b14-13?,16-11+
InChIKeyCYLUCUCDPQTFES-FFIWORBZSA-N
XLogP3.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,7-Dimethyloct-6-enylidene)piperazin-1-ium
CID 176435148
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
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(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine
CID 123222540
2-ethyl-2-(ethylideneamino)-N'-[(8-methyl-1,5-diazacycloundec-8-en-3-yl)methyl]-4-methylidenehexane-1,6-diamine
CID 123321481
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine
CID 123571231
7-ethyl-N,7-dimethyl-10-methyliminodec-4-en-1-amine
CID 123606269
3-Methanimidoyl-5-methyloct-5-en-1-amine
CID 123629211
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013
(E)-N-(methylideneamino)-5-(1,2,3,6-tetrahydropyridin-4-yl)octan-3-imine
CID 132012356

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine?
The IUPAC name of N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine (CID 123998295) is N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine.
What is the SMILES notation for N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine?
The canonical SMILES for N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine is CCNCCC(C)=CC(CC)CCC/C=N/C.
What is the InChIKey of N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine?
The InChIKey is CYLUCUCDPQTFES-FFIWORBZSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-15(9-7-8-11-16-4)13-14(3)10-12-17-6-2/h11,13,15,17H,5-10,12H2,1-4H3/b14-13?,16-11+.
What are the key properties of N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine?
N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine is sourced from PubChem (CID 123998295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).