(Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine

C26H33N7 — CID 143870668

IUPAC(Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine
SMILESCN(C/C(N)=C/N(N)c1ccccc1CNCc1ccccn1)C1CCCc2cccnc21
InChIInChI=1S/C26H33N7/c1-32(25-13-6-9-20-10-7-15-31-26(20)25)18-22(27)19-33(28)24-12-3-2-8-21(24)16-29-17-23-11-4-5-14-30-23/h2-5,7-8,10-12,14-15,19,25,29H,6,9,13,16-18,27-28H2,1H3/b22-19-
InChIKeyLEZBTPDDXZPERM-QOCHGBHMSA-N
MW443.60 g/mol
LogP3.26
Rot. Bonds9

About (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine

(Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine (PubChem CID 143870668) has the molecular formula C26H33N7 and a molecular weight of 443.60 g/mol. Its IUPAC name is (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine
PubChem CID143870668
Molecular FormulaC26H33N7
Molecular Weight443.60 g/mol
Exact Mass443.28
IUPAC Name(Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine
SMILESCN(C/C(N)=C/N(N)c1ccccc1CNCc1ccccn1)C1CCCc2cccnc21
InChIInChI=1S/C26H33N7/c1-32(25-13-6-9-20-10-7-15-31-26(20)25)18-22(27)19-33(28)24-12-3-2-8-21(24)16-29-17-23-11-4-5-14-30-23/h2-5,7-8,10-12,14-15,19,25,29H,6,9,13,16-18,27-28H2,1H3/b22-19-
InChIKeyLEZBTPDDXZPERM-QOCHGBHMSA-N
XLogP3.26
TPSA96.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine?
The IUPAC name of (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine (CID 143870668) is (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine?
The canonical SMILES for (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine is CN(C/C(N)=C/N(N)c1ccccc1CNCc1ccccn1)C1CCCc2cccnc21.
What is the InChIKey of (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine?
The InChIKey is LEZBTPDDXZPERM-QOCHGBHMSA-N. The full InChI is InChI=1S/C26H33N7/c1-32(25-13-6-9-20-10-7-15-31-26(20)25)18-22(27)19-33(28)24-12-3-2-8-21(24)16-29-17-23-11-4-5-14-30-23/h2-5,7-8,10-12,14-15,19,25,29H,6,9,13,16-18,27-28H2,1H3/b22-19-.
What are the key properties of (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine?
(Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine has a molecular weight of 443.60 g/mol, XLogP of 3.26, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[N-amino-2-[(pyridin-2-ylmethylamino)methyl]anilino]-1-N-methyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 143870668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).