4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine

C13H23N — CID 79607908

IUPAC4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine
SMILESC#CCCC(C)=CCCNCC(C)C
InChIInChI=1S/C13H23N/c1-5-6-8-13(4)9-7-10-14-11-12(2)3/h1,9,12,14H,6-8,10-11H2,2-4H3
InChIKeyAGPPSUSYNIQHRV-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.98
Rot. Bonds7

About 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine

4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine (PubChem CID 79607908) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine
PubChem CID79607908
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine
SMILESC#CCCC(C)=CCCNCC(C)C
InChIInChI=1S/C13H23N/c1-5-6-8-13(4)9-7-10-14-11-12(2)3/h1,9,12,14H,6-8,10-11H2,2-4H3
InChIKeyAGPPSUSYNIQHRV-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.98
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-methylpropyl)-5-propan-2-yloxypent-3-en-1-amine
CID 79607218
4-methyl-N-(2-methylpropyl)-7-methylsulfonylhept-3-en-1-amine
CID 79607990
6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine
CID 82935709
(Z)-N,3-dimethylhept-2-en-6-yn-1-amine
CID 163417578
5-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607637
(E)-3-methyloct-3-en-7-yn-1-ol
CID 11457729
5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine
CID 79598913
4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine
CID 79598493
(Z)-4-methyl-5-(5-methyloxolan-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 103132390
(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne
CID 159745410
5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79606979
(Z)-5-(5-chloro-2-fluorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 103051630

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine (CID 79607908) is 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine is C#CCCC(C)=CCCNCC(C)C.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine?
The InChIKey is AGPPSUSYNIQHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-5-6-8-13(4)9-7-10-14-11-12(2)3/h1,9,12,14H,6-8,10-11H2,2-4H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine?
4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine is sourced from PubChem (CID 79607908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).