4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine

C14H29N — CID 90866209

IUPAC4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine
SMILESC=CC(C)C(CC)CCCNCC(C)C
InChIInChI=1S/C14H29N/c1-6-13(5)14(7-2)9-8-10-15-11-12(3)4/h6,12-15H,1,7-11H2,2-5H3
InChIKeyQLBYFTLVSXGPKT-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.86
Rot. Bonds9

About 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine

4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine (PubChem CID 90866209) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine
PubChem CID90866209
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine
SMILESC=CC(C)C(CC)CCCNCC(C)C
InChIInChI=1S/C14H29N/c1-6-13(5)14(7-2)9-8-10-15-11-12(3)4/h6,12-15H,1,7-11H2,2-5H3
InChIKeyQLBYFTLVSXGPKT-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-methyldodec-1-ene
CID 145405438
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62419355
4-iodo-N-(2-methylpropyl)pentan-1-amine
CID 155459836
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
CID 58965211
2-methyl-N-propylpropan-1-amine
CID 520943
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
CID 62453800
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine
CID 11031535

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine?
The IUPAC name of 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine (CID 90866209) is 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine.
What is the SMILES notation for 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine?
The canonical SMILES for 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine is C=CC(C)C(CC)CCCNCC(C)C.
What is the InChIKey of 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine?
The InChIKey is QLBYFTLVSXGPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-13(5)14(7-2)9-8-10-15-11-12(3)4/h6,12-15H,1,7-11H2,2-5H3.
What are the key properties of 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine?
4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(2-methylpropyl)hept-6-en-1-amine is sourced from PubChem (CID 90866209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).