(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine

C19H25N3O — CID 164857963

IUPAC(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine
SMILESCc1cc(C#CC2CC2)ccc1/C(N)=C/NCC1COCCN1
InChIInChI=1S/C19H25N3O/c1-14-10-16(5-4-15-2-3-15)6-7-18(14)19(20)12-21-11-17-13-23-9-8-22-17/h6-7,10,12,15,17,21-22H,2-3,8-9,11,13,20H2,1H3/b19-12-
InChIKeyXGFCTEGJRCGDOH-UNOMPAQXSA-N
MW311.43 g/mol
LogP1.59
Rot. Bonds4

About (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine

(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine (PubChem CID 164857963) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine
PubChem CID164857963
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine
SMILESCc1cc(C#CC2CC2)ccc1/C(N)=C/NCC1COCCN1
InChIInChI=1S/C19H25N3O/c1-14-10-16(5-4-15-2-3-15)6-7-18(14)19(20)12-21-11-17-13-23-9-8-22-17/h6-7,10,12,15,17,21-22H,2-3,8-9,11,13,20H2,1H3/b19-12-
InChIKeyXGFCTEGJRCGDOH-UNOMPAQXSA-N
XLogP1.59
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine with MolForge

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Related Compounds

(2Z)-2-[4-(2-cyclopropylethynyl)-2-methylphenyl]-2-hydrazinylidene-N-(oxan-3-yl)ethanimine
CID 164857293
6-methyl-2-(morpholin-3-ylmethylamino)pyridine-3-carboxamide
CID 103549173
1-[3-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]prop-2-ynyl]pyrrolidine-2-carboxylic acid
CID 164857486
(E)-1-[5-(2-cyclopropylethynyl)-2-methylphenyl]sulfanyl-N'-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]ethene-1,2-diamine
CID 164857285
(Z)-1-[4-(2,5-diazaspiro[3.4]octan-2-yl)-2-methylphenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857557
2-methyl-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
CID 103548415
(Z)-1-[4-[(Z)-1-amino-3-ethyliminoprop-1-en-2-yl]-2-methylphenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857931
4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548613
4-(morpholin-3-ylmethylamino)benzamide
CID 103549364
3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
CID 117034338
3-ethyl-6-methyl-N-(morpholin-3-ylmethyl)pyridazine-4-carboxamide
CID 103548617

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine?
The IUPAC name of (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine (CID 164857963) is (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine is Cc1cc(C#CC2CC2)ccc1/C(N)=C/NCC1COCCN1.
What is the InChIKey of (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine?
The InChIKey is XGFCTEGJRCGDOH-UNOMPAQXSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-10-16(5-4-15-2-3-15)6-7-18(14)19(20)12-21-11-17-13-23-9-8-22-17/h6-7,10,12,15,17,21-22H,2-3,8-9,11,13,20H2,1H3/b19-12-.
What are the key properties of (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine?
(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine has a molecular weight of 311.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]-N'-(morpholin-3-ylmethyl)ethene-1,2-diamine is sourced from PubChem (CID 164857963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).