N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine

C9H22N2 — CID 171517799

IUPACN,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine
SMILESCN(C)C.CNC(C)=C(C)C
InChIInChI=1S/C6H13N.C3H9N/c1-5(2)6(3)7-4;1-4(2)3/h7H,1-4H3;1-3H3
InChIKeySOJCPIGQLXSDCV-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.70
Rot. Bonds1

About N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine

N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine (PubChem CID 171517799) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine.

Molecular Properties

Compound NameN,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine
PubChem CID171517799
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine
SMILESCN(C)C.CNC(C)=C(C)C
InChIInChI=1S/C6H13N.C3H9N/c1-5(2)6(3)7-4;1-4(2)3/h7H,1-4H3;1-3H3
InChIKeySOJCPIGQLXSDCV-UHFFFAOYSA-N
XLogP1.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylmethanamine;N-methylmethanamine
CID 22481130
(Z)-3-N-methylbut-2-ene-2,3-diamine
CID 58557481
3-methyl-4-(methylamino)pent-3-en-2-one
CID 20584278
(Z)-N,3,4-trimethylpent-2-en-2-amine
CID 59961887
alumane;N,N-dimethylmethanamine;dihydrochloride
CID 175552455
azane;N,N-dimethylmethanamine;methanamine;methanol;N-methylmethanamine
CID 158599211
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
1-chloro-N,2-dimethylprop-1-en-1-amine
CID 86211686
ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine
CID 143722867
methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59955792
(Z)-4-(methylamino)-3-sulfanylpent-3-en-2-one
CID 89193900
1-(methylamino)ethylidenechromium
CID 10955932

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine?
The IUPAC name of N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine (CID 171517799) is N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine.
What is the SMILES notation for N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine?
The canonical SMILES for N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine is CN(C)C.CNC(C)=C(C)C.
What is the InChIKey of N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine?
The InChIKey is SOJCPIGQLXSDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H9N/c1-5(2)6(3)7-4;1-4(2)3/h7H,1-4H3;1-3H3.
What are the key properties of N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine?
N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine has a molecular weight of 158.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine is sourced from PubChem (CID 171517799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).