N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine

C13H21N4- — CID 20825913

IUPACN-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILES[CH2-]N1CCc2nc(NCCN(C)C)ccc2C1
InChIInChI=1S/C13H21N4/c1-16(2)9-7-14-13-5-4-11-10-17(3)8-6-12(11)15-13/h4-5H,3,6-10H2,1-2H3,(H,14,15)/q-1
InChIKeyBFARQOWQQQKDKV-UHFFFAOYSA-N
MW233.34 g/mol
LogP1.20
Rot. Bonds4

About N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine

N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 20825913) has the molecular formula C13H21N4- and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID20825913
Molecular FormulaC13H21N4-
Molecular Weight233.34 g/mol
Exact Mass233.18
IUPAC NameN-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILES[CH2-]N1CCc2nc(NCCN(C)C)ccc2C1
InChIInChI=1S/C13H21N4/c1-16(2)9-7-14-13-5-4-11-10-17(3)8-6-12(11)15-13/h4-5H,3,6-10H2,1-2H3,(H,14,15)/q-1
InChIKeyBFARQOWQQQKDKV-UHFFFAOYSA-N
XLogP1.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methanidyl-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 20825839
N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 114515997
N'-(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)ethane-1,2-diamine
CID 83833578
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
N,N-dimethyl-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanamine
CID 134555279
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
tert-butyl (NZ)-N-[[2-(2-methoxyethylamino)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 20825963
2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one
CID 159303718
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43260939
N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
CID 71008471
2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
CID 67868318
4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112887032

Frequently Asked Questions

What is the IUPAC name of N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine (CID 20825913) is N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine is [CH2-]N1CCc2nc(NCCN(C)C)ccc2C1.
What is the InChIKey of N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BFARQOWQQQKDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N4/c1-16(2)9-7-14-13-5-4-11-10-17(3)8-6-12(11)15-13/h4-5H,3,6-10H2,1-2H3,(H,14,15)/q-1.
What are the key properties of N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine?
N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 233.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methanidyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 20825913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).