(E)-but-1-en-1-amine;hydrochloride

C4H10ClN — CID 23207044

IUPAC(E)-but-1-en-1-amine;hydrochloride
SMILESCC/C=C/N.Cl
InChIInChI=1S/C4H9N.ClH/c1-2-3-4-5;/h3-4H,2,5H2,1H3;1H/b4-3+;
InChIKeyIOCQUZYWTPEUGB-BJILWQEISA-N
MW107.58 g/mol
LogP1.29
Rot. Bonds1

About (E)-but-1-en-1-amine;hydrochloride

(E)-but-1-en-1-amine;hydrochloride (PubChem CID 23207044) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is (E)-but-1-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-but-1-en-1-amine;hydrochloride
PubChem CID23207044
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name(E)-but-1-en-1-amine;hydrochloride
SMILESCC/C=C/N.Cl
InChIInChI=1S/C4H9N.ClH/c1-2-3-4-5;/h3-4H,2,5H2,1H3;1H/b4-3+;
InChIKeyIOCQUZYWTPEUGB-BJILWQEISA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Penta-1,4-dien-1-amine
CID 111870
Butenylamine
CID 12415240
(E)-hept-1-en-1-amine
CID 18469478
Dehydroputrescine
CID 18474453
Hexenylamin
CID 20202400
Pentenylamine
CID 20339198
Isoamylenamin
CID 53405416
But-1-en-1-amine
CID 53775721
Aminopentene
CID 53815724
Aminohexene
CID 54286016
1-Amino-3-methylbuta-1,3-diene
CID 57682486
Aminoheptene
CID 73447107

Frequently Asked Questions

What is the IUPAC name of (E)-but-1-en-1-amine;hydrochloride?
The IUPAC name of (E)-but-1-en-1-amine;hydrochloride (CID 23207044) is (E)-but-1-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-but-1-en-1-amine;hydrochloride?
The canonical SMILES for (E)-but-1-en-1-amine;hydrochloride is CC/C=C/N.Cl.
What is the InChIKey of (E)-but-1-en-1-amine;hydrochloride?
The InChIKey is IOCQUZYWTPEUGB-BJILWQEISA-N. The full InChI is InChI=1S/C4H9N.ClH/c1-2-3-4-5;/h3-4H,2,5H2,1H3;1H/b4-3+;.
What are the key properties of (E)-but-1-en-1-amine;hydrochloride?
(E)-but-1-en-1-amine;hydrochloride has a molecular weight of 107.58 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-1-en-1-amine;hydrochloride is sourced from PubChem (CID 23207044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).