1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

C19H26N6 — CID 147652172

IUPAC1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILES[H]/N=C/C=C(N)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C19H26N6/c1-25(2)15-6-4-14(5-7-15)24-19-16-11-13(17(21)9-10-20)3-8-18(16)22-12-23-19/h3,8-12,14-15,20H,4-7,21H2,1-2H3,(H,22,23,24)/b17-9?,20-10+
InChIKeyCMKNFBRMNNBHQG-FHUMIKEHSA-N
MW338.46 g/mol
LogP2.86
Rot. Bonds5

About 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 147652172) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID147652172
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILES[H]/N=C/C=C(N)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C19H26N6/c1-25(2)15-6-4-14(5-7-15)24-19-16-11-13(17(21)9-10-20)3-8-18(16)22-12-23-19/h3,8-12,14-15,20H,4-7,21H2,1-2H3,(H,22,23,24)/b17-9?,20-10+
InChIKeyCMKNFBRMNNBHQG-FHUMIKEHSA-N
XLogP2.86
TPSA90.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 147652172) is 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is [H]/N=C/C=C(N)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1.
What is the InChIKey of 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is CMKNFBRMNNBHQG-FHUMIKEHSA-N. The full InChI is InChI=1S/C19H26N6/c1-25(2)15-6-4-14(5-7-15)24-19-16-11-13(17(21)9-10-20)3-8-18(16)22-12-23-19/h3,8-12,14-15,20H,4-7,21H2,1-2H3,(H,22,23,24)/b17-9?,20-10+.
What are the key properties of 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 338.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 147652172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).