N-ethyl-2,4-dimethylhept-1-en-3-amine

C11H23N — CID 105005538

IUPACN-ethyl-2,4-dimethylhept-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)CCC
InChIInChI=1S/C11H23N/c1-6-8-10(5)11(9(3)4)12-7-2/h10-12H,3,6-8H2,1-2,4-5H3
InChIKeyJBLLIUBPVOWXRL-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About N-ethyl-2,4-dimethylhept-1-en-3-amine

N-ethyl-2,4-dimethylhept-1-en-3-amine (PubChem CID 105005538) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-2,4-dimethylhept-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2,4-dimethylhept-1-en-3-amine
PubChem CID105005538
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-ethyl-2,4-dimethylhept-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)CCC
InChIInChI=1S/C11H23N/c1-6-8-10(5)11(9(3)4)12-7-2/h10-12H,3,6-8H2,1-2,4-5H3
InChIKeyJBLLIUBPVOWXRL-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,5-dimethyloct-1-en-4-amine
CID 105004257
N-ethyl-4-methoxy-2-methylpent-1-en-3-amine
CID 79616696
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
3-fluoro-2,4-dimethylhept-1-ene
CID 145493748
4-ethoxy-N-ethyl-2,5-dimethylhex-1-en-3-amine
CID 116721344
1-cyclopropyl-N-ethyl-1-methoxy-3-methylbut-3-en-2-amine
CID 116722432
(4S)-N,2,3-trimethylhept-1-en-4-amine
CID 174109197
N-(2-bromoprop-2-enyl)pentan-2-amine
CID 60871650
5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
3-methyl-N-propylbut-3-en-2-amine
CID 79177488
N-ethyl-2-methyl-5-propoxypent-1-en-3-amine
CID 105163614

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dimethylhept-1-en-3-amine?
The IUPAC name of N-ethyl-2,4-dimethylhept-1-en-3-amine (CID 105005538) is N-ethyl-2,4-dimethylhept-1-en-3-amine.
What is the SMILES notation for N-ethyl-2,4-dimethylhept-1-en-3-amine?
The canonical SMILES for N-ethyl-2,4-dimethylhept-1-en-3-amine is C=C(C)C(NCC)C(C)CCC.
What is the InChIKey of N-ethyl-2,4-dimethylhept-1-en-3-amine?
The InChIKey is JBLLIUBPVOWXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-8-10(5)11(9(3)4)12-7-2/h10-12H,3,6-8H2,1-2,4-5H3.
What are the key properties of N-ethyl-2,4-dimethylhept-1-en-3-amine?
N-ethyl-2,4-dimethylhept-1-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dimethylhept-1-en-3-amine is sourced from PubChem (CID 105005538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).