(Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile

C14H17N3 — CID 144776736

IUPAC(Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile
SMILESC/C=C\c1c(C)cccc1/C(NC)=C(/N)C#N
InChIInChI=1S/C14H17N3/c1-4-6-11-10(2)7-5-8-12(11)14(17-3)13(16)9-15/h4-8,17H,16H2,1-3H3/b6-4-,14-13-
InChIKeyGGZSZAAPJWDTAV-IGOVOTBESA-N
MW227.31 g/mol
LogP2.40
Rot. Bonds3

About (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile

(Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile (PubChem CID 144776736) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile
PubChem CID144776736
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile
SMILESC/C=C\c1c(C)cccc1/C(NC)=C(/N)C#N
InChIInChI=1S/C14H17N3/c1-4-6-11-10(2)7-5-8-12(11)14(17-3)13(16)9-15/h4-8,17H,16H2,1-3H3/b6-4-,14-13-
InChIKeyGGZSZAAPJWDTAV-IGOVOTBESA-N
XLogP2.40
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile (CID 144776736) is (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile is C/C=C\c1c(C)cccc1/C(NC)=C(/N)C#N.
What is the InChIKey of (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile?
The InChIKey is GGZSZAAPJWDTAV-IGOVOTBESA-N. The full InChI is InChI=1S/C14H17N3/c1-4-6-11-10(2)7-5-8-12(11)14(17-3)13(16)9-15/h4-8,17H,16H2,1-3H3/b6-4-,14-13-.
What are the key properties of (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile?
(Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile has a molecular weight of 227.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(methylamino)-3-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]prop-2-enenitrile is sourced from PubChem (CID 144776736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).