N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine

C8H16BN — CID 174112129

IUPACN,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine
SMILESC=BN(C)C(=C)C(C)(C)C
InChIInChI=1S/C8H16BN/c1-7(8(2,3)4)10(6)9-5/h1,5H2,2-4,6H3
InChIKeyQJXWOOXMPMSIQB-UHFFFAOYSA-N
MW137.03 g/mol
LogP1.53
Rot. Bonds2

About N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine

N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine (PubChem CID 174112129) has the molecular formula C8H16BN and a molecular weight of 137.03 g/mol. Its IUPAC name is N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine
PubChem CID174112129
Molecular FormulaC8H16BN
Molecular Weight137.03 g/mol
Exact Mass137.14
IUPAC NameN,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine
SMILESC=BN(C)C(=C)C(C)(C)C
InChIInChI=1S/C8H16BN/c1-7(8(2,3)4)10(6)9-5/h1,5H2,2-4,6H3
InChIKeyQJXWOOXMPMSIQB-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.03
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbut-1-en-2-yl)-N,2,2,3,3-pentamethylbutan-1-amine
CID 166734510
N,2,2-trimethyl-N-(trideuteriomethyl)propanamide
CID 157366464
3,3-dimethylbut-1-en-2-ylsilane
CID 173032105
3,3-dimethylbut-1-en-2-amine
CID 15393104
CID 173290538
CID 173290538
2-(dimethylamino)-2,3-dimethylbut-3-enenitrile
CID 12526686
(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine
CID 138649011
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
N'-[tert-butyl(methyl)amino]-2,2-dimethyl-N-methylidenepropanimidamide
CID 166812636
2-(3,3-dimethylbut-1-en-2-ylditellanyl)-3,3-dimethylbut-1-ene
CID 134896243
N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy]ethenamine
CID 89011390
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine?
The IUPAC name of N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine (CID 174112129) is N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine is C=BN(C)C(=C)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine?
The InChIKey is QJXWOOXMPMSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BN/c1-7(8(2,3)4)10(6)9-5/h1,5H2,2-4,6H3.
What are the key properties of N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine?
N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine has a molecular weight of 137.03 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-methylideneboranylbut-1-en-2-amine is sourced from PubChem (CID 174112129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).