N-tert-butyl-4,5-dimethylhept-3-en-1-amine

C13H27N — CID 79607630

IUPACN-tert-butyl-4,5-dimethylhept-3-en-1-amine
SMILESCCC(C)C(C)=CCCNC(C)(C)C
InChIInChI=1S/C13H27N/c1-7-11(2)12(3)9-8-10-14-13(4,5)6/h9,11,14H,7-8,10H2,1-6H3
InChIKeyDKARHDGGDHGPPH-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds5

About N-tert-butyl-4,5-dimethylhept-3-en-1-amine

N-tert-butyl-4,5-dimethylhept-3-en-1-amine (PubChem CID 79607630) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-tert-butyl-4,5-dimethylhept-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4,5-dimethylhept-3-en-1-amine
PubChem CID79607630
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-tert-butyl-4,5-dimethylhept-3-en-1-amine
SMILESCCC(C)C(C)=CCCNC(C)(C)C
InChIInChI=1S/C13H27N/c1-7-11(2)12(3)9-8-10-14-13(4,5)6/h9,11,14H,7-8,10H2,1-6H3
InChIKeyDKARHDGGDHGPPH-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
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-4,6-dimethyloct-3-en-1-amine
CID 79607887
N-tert-butyl-4-methyl-5-propan-2-yloxypent-3-en-1-amine
CID 79607204
(Z)-4,5-dimethylhept-3-ene
CID 142511472
N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine
CID 79607121
N-tert-butyl-5-ethoxy-4-methylpent-3-en-1-amine
CID 79607207
(E)-2,5,6-trimethyloct-4-ene
CID 144800486
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine
CID 79607891
N-tert-butylhex-3-en-1-amine
CID 112734327
N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine
CID 79607714
N-tert-butyl-5-methylhexa-3,5-dien-1-amine
CID 79597878
N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
CID 79607279

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,5-dimethylhept-3-en-1-amine?
The IUPAC name of N-tert-butyl-4,5-dimethylhept-3-en-1-amine (CID 79607630) is N-tert-butyl-4,5-dimethylhept-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4,5-dimethylhept-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4,5-dimethylhept-3-en-1-amine is CCC(C)C(C)=CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4,5-dimethylhept-3-en-1-amine?
The InChIKey is DKARHDGGDHGPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-11(2)12(3)9-8-10-14-13(4,5)6/h9,11,14H,7-8,10H2,1-6H3.
What are the key properties of N-tert-butyl-4,5-dimethylhept-3-en-1-amine?
N-tert-butyl-4,5-dimethylhept-3-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,5-dimethylhept-3-en-1-amine is sourced from PubChem (CID 79607630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).