N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine

C13H27N — CID 130291438

IUPACN-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine
SMILESC=CC(CC)(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-9-13(10-2,11(3,4)5)14-12(6,7)8/h9,14H,1,10H2,2-8H3
InChIKeyMVHIJPIMGDCZTA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds3

About N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine

N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine (PubChem CID 130291438) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound NameN-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine
PubChem CID130291438
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine
SMILESC=CC(CC)(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-9-13(10-2,11(3,4)5)14-12(6,7)8/h9,14H,1,10H2,2-8H3
InChIKeyMVHIJPIMGDCZTA-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4,4-dimethylpent-1-en-3-ol
CID 91529318
N,3-dimethylpent-1-en-3-amine
CID 123650218
3,3-dimethylpent-1-ene;ethane
CID 142059460
N-tert-butyl-2-methylbutan-2-amine;ethane
CID 142129044
N-ethyl-3-methylpent-1-en-3-amine
CID 55286067
2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine
CID 142811014
3-ethyl-N-(3-ethyl-2,2-dimethylpentan-3-yl)-2,2-dimethylpentan-3-amine
CID 87087007
3,3-difluorobut-1-ene;propane
CID 143721745
3,3,6,6-tetramethylocta-1,4-diene
CID 123152058
but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
CID 142056608
N-tert-butyl-3-methylhexan-3-amine
CID 123793327
magnesium;3-methylpent-1-en-3-olate;bromide
CID 177132358

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine?
The IUPAC name of N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine (CID 130291438) is N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine?
The canonical SMILES for N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine is C=CC(CC)(NC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine?
The InChIKey is MVHIJPIMGDCZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9-13(10-2,11(3,4)5)14-12(6,7)8/h9,14H,1,10H2,2-8H3.
What are the key properties of N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine?
N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 130291438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).