N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine

C13H27N — CID 123354922

IUPACN-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine
SMILESC=CN(C(C)(C)C)C(C)(C)CC(C)C
InChIInChI=1S/C13H27N/c1-9-14(12(4,5)6)13(7,8)10-11(2)3/h9,11H,1,10H2,2-8H3
InChIKeyCBPSWHYLSWEBTL-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.06
Rot. Bonds4

About N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine

N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine (PubChem CID 123354922) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine
PubChem CID123354922
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine
SMILESC=CN(C(C)(C)C)C(C)(C)CC(C)C
InChIInChI=1S/C13H27N/c1-9-14(12(4,5)6)13(7,8)10-11(2)3/h9,11H,1,10H2,2-8H3
InChIKeyCBPSWHYLSWEBTL-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethenyl-N-(2-methylpropyl)butan-1-amine
CID 134996462
N-ethenyl-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 54538707
Ethenyl-dimethyl-(2-methylbutyl)azanium
CID 59069008
1-Tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine
CID 70582406
N-ethenyl-N-[(2S)-3-methylbutan-2-yl]pentan-3-amine
CID 89261390
N-ethenyl-N,2-dimethylbutan-1-amine
CID 90965303
N-ethenyl-N,2,3-trimethylbutan-2-amine
CID 117674750
N-ethenyl-N,2,3,4-tetramethylpentan-3-amine
CID 123190301
N-ethenyl-N,2-dimethylhexan-1-amine
CID 123936522
N-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 131998685
N-ethenyl-N,2-dimethylpentan-3-amine
CID 134223979
N-ethenyl-N,2-dimethylhexan-2-amine
CID 134224431

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine?
The IUPAC name of N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine (CID 123354922) is N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine.
What is the SMILES notation for N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine?
The canonical SMILES for N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine is C=CN(C(C)(C)C)C(C)(C)CC(C)C.
What is the InChIKey of N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine?
The InChIKey is CBPSWHYLSWEBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9-14(12(4,5)6)13(7,8)10-11(2)3/h9,11H,1,10H2,2-8H3.
What are the key properties of N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine?
N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 123354922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).