(E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile

C9H15N3 — CID 134923390

IUPAC(E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile
SMILESCC1CCN(/C(N)=C/C#N)CC1
InChIInChI=1S/C9H15N3/c1-8-3-6-12(7-4-8)9(11)2-5-10/h2,8H,3-4,6-7,11H2,1H3/b9-2+
InChIKeyHNMYGKHPQJXAAC-XNWCZRBMSA-N
MW165.24 g/mol
LogP1.04
Rot. Bonds1

About (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile

(E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile (PubChem CID 134923390) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile
PubChem CID134923390
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile
SMILESCC1CCN(/C(N)=C/C#N)CC1
InChIInChI=1S/C9H15N3/c1-8-3-6-12(7-4-8)9(11)2-5-10/h2,8H,3-4,6-7,11H2,1H3/b9-2+
InChIKeyHNMYGKHPQJXAAC-XNWCZRBMSA-N
XLogP1.04
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile
CID 12708340
(Z)-3-amino-3-piperidin-1-ylprop-2-enenitrile
CID 12708342
1-(4-Methylpiperidin-1-yl)ethenamine
CID 21341319
(E)-1-(4-methylpiperidin-1-yl)prop-1-en-1-amine
CID 67892212
1-(4-Ethylpiperidin-1-yl)ethenamine
CID 141851290
Ethane;1-(4-methylpiperidin-1-yl)ethenamine
CID 143246259
Ethane;1-(4-methylpiperidin-1-yl)ethenamine
CID 143877129
3-Amino-3-(piperidin-1-yl)prop-2-enenitrile
CID 71343804
2-[Amino-(4-methylpiperidin-1-yl)methylidene]propanedinitrile
CID 86788857

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile (CID 134923390) is (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile is CC1CCN(/C(N)=C/C#N)CC1.
What is the InChIKey of (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile?
The InChIKey is HNMYGKHPQJXAAC-XNWCZRBMSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-3-6-12(7-4-8)9(11)2-5-10/h2,8H,3-4,6-7,11H2,1H3/b9-2+.
What are the key properties of (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile?
(E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile has a molecular weight of 165.24 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile is sourced from PubChem (CID 134923390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).