N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine

C16H31N — CID 90742759

IUPACN-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine
SMILESC=C(CC)C(C)C=CCCN(CC)CCCC
InChIInChI=1S/C16H31N/c1-6-9-13-17(8-3)14-11-10-12-16(5)15(4)7-2/h10,12,16H,4,6-9,11,13-14H2,1-3,5H3
InChIKeyHCHJAVGTVZRIFI-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.66
Rot. Bonds10

About N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine

N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine (PubChem CID 90742759) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine
PubChem CID90742759
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine
SMILESC=C(CC)C(C)C=CCCN(CC)CCCC
InChIInChI=1S/C16H31N/c1-6-9-13-17(8-3)14-11-10-12-16(5)15(4)7-2/h10,12,16H,4,6-9,11,13-14H2,1-3,5H3
InChIKeyHCHJAVGTVZRIFI-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine?
The IUPAC name of N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine (CID 90742759) is N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine.
What is the SMILES notation for N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine?
The canonical SMILES for N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine is C=C(CC)C(C)C=CCCN(CC)CCCC.
What is the InChIKey of N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine?
The InChIKey is HCHJAVGTVZRIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-6-9-13-17(8-3)14-11-10-12-16(5)15(4)7-2/h10,12,16H,4,6-9,11,13-14H2,1-3,5H3.
What are the key properties of N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine?
N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-5-methyl-6-methylideneoct-3-en-1-amine is sourced from PubChem (CID 90742759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).