N-ethylbut-2-en-2-amine

C6H13N — CID 54286073

IUPACN-ethylbut-2-en-2-amine
SMILESCC=C(C)NCC
InChIInChI=1S/C6H13N/c1-4-6(3)7-5-2/h4,7H,5H2,1-3H3
InChIKeyZGSGKSHGFAIVSV-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.52
Rot. Bonds2

About N-ethylbut-2-en-2-amine

N-ethylbut-2-en-2-amine (PubChem CID 54286073) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N-ethylbut-2-en-2-amine.

Molecular Properties

Compound NameN-ethylbut-2-en-2-amine
PubChem CID54286073
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN-ethylbut-2-en-2-amine
SMILESCC=C(C)NCC
InChIInChI=1S/C6H13N/c1-4-6(3)7-5-2/h4,7H,5H2,1-3H3
InChIKeyZGSGKSHGFAIVSV-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethylbut-2-en-2-amine?
The IUPAC name of N-ethylbut-2-en-2-amine (CID 54286073) is N-ethylbut-2-en-2-amine.
What is the SMILES notation for N-ethylbut-2-en-2-amine?
The canonical SMILES for N-ethylbut-2-en-2-amine is CC=C(C)NCC.
What is the InChIKey of N-ethylbut-2-en-2-amine?
The InChIKey is ZGSGKSHGFAIVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-4-6(3)7-5-2/h4,7H,5H2,1-3H3.
What are the key properties of N-ethylbut-2-en-2-amine?
N-ethylbut-2-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbut-2-en-2-amine is sourced from PubChem (CID 54286073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).