N,N-dimethylbut-1-en-2-amine

C6H13N — CID 23283727

IUPACN,N-dimethylbut-1-en-2-amine
SMILESC=C(CC)N(C)C
InChIInChI=1S/C6H13N/c1-5-6(2)7(3)4/h2,5H2,1,3-4H3
InChIKeyFCZYWNFRYWOAGG-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.47
Rot. Bonds2

About N,N-dimethylbut-1-en-2-amine

N,N-dimethylbut-1-en-2-amine (PubChem CID 23283727) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N,N-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN,N-dimethylbut-1-en-2-amine
PubChem CID23283727
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN,N-dimethylbut-1-en-2-amine
SMILESC=C(CC)N(C)C
InChIInChI=1S/C6H13N/c1-5-6(2)7(3)4/h2,5H2,1,3-4H3
InChIKeyFCZYWNFRYWOAGG-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-Ethyl-propenyl)-dimethyl-amine
CID 5370379
(E)-3-(Dimethylamino)-2-pentene
CID 5463125
N-methyl-N-propyli-propenylamine
CID 58183829
N-(1-fluoroethenyl)-N-methylbut-1-en-2-amine
CID 144946153
N,N,3-Trimethyl-1-buten-2-amine
CID 538645
N,N-dimethylpent-2-en-3-amine
CID 141698
N,N-dimethylprop-1-en-2-amine
CID 12556482
But-1-en-2-yl(triethyl)azanium
CID 22247086
N-methyl-N-prop-1-en-2-ylprop-1-en-2-amine
CID 23150838
N,N-dimethylpent-1-en-2-amine
CID 23565363
N,N-diethylbut-1-en-2-amine
CID 57024864
CID 58493127
CID 58493127

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbut-1-en-2-amine?
The IUPAC name of N,N-dimethylbut-1-en-2-amine (CID 23283727) is N,N-dimethylbut-1-en-2-amine.
What is the SMILES notation for N,N-dimethylbut-1-en-2-amine?
The canonical SMILES for N,N-dimethylbut-1-en-2-amine is C=C(CC)N(C)C.
What is the InChIKey of N,N-dimethylbut-1-en-2-amine?
The InChIKey is FCZYWNFRYWOAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-5-6(2)7(3)4/h2,5H2,1,3-4H3.
What are the key properties of N,N-dimethylbut-1-en-2-amine?
N,N-dimethylbut-1-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbut-1-en-2-amine is sourced from PubChem (CID 23283727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).