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

C6H13N — CID 22094906

IUPACN,3-dimethylbut-1-en-2-amine
SMILESC=C(NC)C(C)C
InChIInChI=1S/C6H13N/c1-5(2)6(3)7-4/h5,7H,3H2,1-2,4H3
InChIKeyAFVSCLWZAWZEQY-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.38
Rot. Bonds2

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

N,3-dimethylbut-1-en-2-amine (PubChem CID 22094906) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN,3-dimethylbut-1-en-2-amine
PubChem CID22094906
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN,3-dimethylbut-1-en-2-amine
SMILESC=C(NC)C(C)C
InChIInChI=1S/C6H13N/c1-5(2)6(3)7-4/h5,7H,3H2,1-2,4H3
InChIKeyAFVSCLWZAWZEQY-UHFFFAOYSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-1-en-2-amine?
The IUPAC name of N,3-dimethylbut-1-en-2-amine (CID 22094906) is N,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N,3-dimethylbut-1-en-2-amine is C=C(NC)C(C)C.
What is the InChIKey of N,3-dimethylbut-1-en-2-amine?
The InChIKey is AFVSCLWZAWZEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-5(2)6(3)7-4/h5,7H,3H2,1-2,4H3.
What are the key properties of N,3-dimethylbut-1-en-2-amine?
N,3-dimethylbut-1-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 22094906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).