N-tert-butyl-N,3-dimethylbut-2-en-1-amine

C10H21N — CID 23381585

IUPACN-tert-butyl-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(2)7-8-11(6)10(3,4)5/h7H,8H2,1-6H3
InChIKeyAKQUHQJYBPBUMU-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds2

About N-tert-butyl-N,3-dimethylbut-2-en-1-amine

N-tert-butyl-N,3-dimethylbut-2-en-1-amine (PubChem CID 23381585) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-tert-butyl-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N,3-dimethylbut-2-en-1-amine
PubChem CID23381585
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-tert-butyl-N,3-dimethylbut-2-en-1-amine
SMILESCC(C)=CCN(C)C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(2)7-8-11(6)10(3,4)5/h7H,8H2,1-6H3
InChIKeyAKQUHQJYBPBUMU-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Buten-1-amine, N,N-diethyl-3-methyl-
CID 547140
N-(1,1-Dimethylethyl)-N-2-propen-1-yl-2-propen-1-amine
CID 11788404
Prenyltrimethylammonium iodide
CID 13104311
(E)-N,N-diethyl-2-methylbut-2-en-1-amine
CID 13570507
n,n-Dipropyl-(1-cyclopropenylmethyl)amine
CID 42601499
N,2-dimethyl-N-prop-2-enylpropan-2-amine
CID 58911984
1-Tert-butyl-3-ethylideneazetidine
CID 102361734
Diethyl-(2-methyl-but-2-enyl)-amine
CID 54016052
3-methyl-N,N-dipropylbut-2-en-1-amine
CID 15656045
N,N-dibutyl-3-methylbut-2-en-1-amine
CID 15727617
Trimethyl(3-methylbut-2-enyl)ammonium chloride
CID 12545394
Bis(3-methylbut-2-enyl)cyanamide
CID 14395438

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of N-tert-butyl-N,3-dimethylbut-2-en-1-amine (CID 23381585) is N-tert-butyl-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for N-tert-butyl-N,3-dimethylbut-2-en-1-amine is CC(C)=CCN(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,3-dimethylbut-2-en-1-amine?
The InChIKey is AKQUHQJYBPBUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)7-8-11(6)10(3,4)5/h7H,8H2,1-6H3.
What are the key properties of N-tert-butyl-N,3-dimethylbut-2-en-1-amine?
N-tert-butyl-N,3-dimethylbut-2-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 23381585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).