N-tert-butyl-4,6-dimethyloct-3-en-1-amine

C14H29N — CID 79607887

IUPACN-tert-butyl-4,6-dimethyloct-3-en-1-amine
SMILESCCC(C)CC(C)=CCCNC(C)(C)C
InChIInChI=1S/C14H29N/c1-7-12(2)11-13(3)9-8-10-15-14(4,5)6/h9,12,15H,7-8,10-11H2,1-6H3
InChIKeyKQJDMGMZKPLLJI-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.15
Rot. Bonds6

About N-tert-butyl-4,6-dimethyloct-3-en-1-amine

N-tert-butyl-4,6-dimethyloct-3-en-1-amine (PubChem CID 79607887) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-tert-butyl-4,6-dimethyloct-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4,6-dimethyloct-3-en-1-amine
PubChem CID79607887
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-tert-butyl-4,6-dimethyloct-3-en-1-amine
SMILESCCC(C)CC(C)=CCCNC(C)(C)C
InChIInChI=1S/C14H29N/c1-7-12(2)11-13(3)9-8-10-15-14(4,5)6/h9,12,15H,7-8,10-11H2,1-6H3
InChIKeyKQJDMGMZKPLLJI-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.15
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

N-tert-butyl-4,5-dimethylhept-3-en-1-amine
CID 79607630
N-tert-butyl-5-ethoxy-4-methylpent-3-en-1-amine
CID 79607207
N-tert-butyl-4-methyl-5-propan-2-yloxypent-3-en-1-amine
CID 79607204
N-(4,6-dimethyloct-3-enyl)cyclopropanamine
CID 79598638
N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine
CID 79607917
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
N,4,6-trimethylnon-3-en-1-amine
CID 79599077
N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine
CID 79607121
6-ethyl-4-methyl-N-(2-methylpropyl)oct-3-en-1-amine
CID 82935709
N-(4,6-dimethylnon-3-enyl)cyclopropanamine
CID 79606790
(E)-4,6-dimethyloct-3-en-2-ol
CID 87272848
4,6-dimethyloct-3-en-2-ol
CID 91470833

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,6-dimethyloct-3-en-1-amine?
The IUPAC name of N-tert-butyl-4,6-dimethyloct-3-en-1-amine (CID 79607887) is N-tert-butyl-4,6-dimethyloct-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4,6-dimethyloct-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4,6-dimethyloct-3-en-1-amine is CCC(C)CC(C)=CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4,6-dimethyloct-3-en-1-amine?
The InChIKey is KQJDMGMZKPLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-7-12(2)11-13(3)9-8-10-15-14(4,5)6/h9,12,15H,7-8,10-11H2,1-6H3.
What are the key properties of N-tert-butyl-4,6-dimethyloct-3-en-1-amine?
N-tert-butyl-4,6-dimethyloct-3-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,6-dimethyloct-3-en-1-amine is sourced from PubChem (CID 79607887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).