N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine

C16H33N — CID 123425143

IUPACN-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine
SMILESCCCC(CC)CC(C)C=CN(C)C(C)CC
InChIInChI=1S/C16H33N/c1-7-10-16(9-3)13-14(4)11-12-17(6)15(5)8-2/h11-12,14-16H,7-10,13H2,1-6H3
InChIKeyBCDVIRVIUVOXHA-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.08
Rot. Bonds9

About N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine

N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine (PubChem CID 123425143) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine
PubChem CID123425143
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine
SMILESCCCC(CC)CC(C)C=CN(C)C(C)CC
InChIInChI=1S/C16H33N/c1-7-10-16(9-3)13-14(4)11-12-17(6)15(5)8-2/h11-12,14-16H,7-10,13H2,1-6H3
InChIKeyBCDVIRVIUVOXHA-UHFFFAOYSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-Hex-1-enyl-2-non-8-en-2-ylpyrrolidine
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(E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine
CID 57171092
1,2,3-Trimethyl-2,3,4,5-tetrahydroazepine
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(7Z)-1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine
CID 58293716
1,2-Di(propan-2-yl)-2,3,4,5-tetrahydroazepine
CID 59559469
(2S)-2-butan-2-yl-1-methyl-2,3-dihydropyrrole
CID 67522535
1-methyl-2-propan-2-yl-3,4-dihydro-2H-pyridine
CID 68070001
1-Methyl-2-propan-2-yl-2,3,4,5-tetrahydroazepine
CID 68315432
1,2,3-trimethyl-3,4,5,6-tetrahydro-2H-azocine
CID 76744098
3-methyl-1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 88979200

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine?
The IUPAC name of N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine (CID 123425143) is N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine.
What is the SMILES notation for N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine?
The canonical SMILES for N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine is CCCC(CC)CC(C)C=CN(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine?
The InChIKey is BCDVIRVIUVOXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-10-16(9-3)13-14(4)11-12-17(6)15(5)8-2/h11-12,14-16H,7-10,13H2,1-6H3.
What are the key properties of N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine?
N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine is sourced from PubChem (CID 123425143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).