1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine

C16H23N3 — CID 105378632

IUPAC1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
SMILESCc1ccc2cc(CNC(C)CN(C)C)ccc2n1
InChIInChI=1S/C16H23N3/c1-12-5-7-15-9-14(6-8-16(15)18-12)10-17-13(2)11-19(3)4/h5-9,13,17H,10-11H2,1-4H3
InChIKeySTKPRGDHLBNWOO-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.58
Rot. Bonds5

About 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine (PubChem CID 105378632) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
PubChem CID105378632
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
SMILESCc1ccc2cc(CNC(C)CN(C)C)ccc2n1
InChIInChI=1S/C16H23N3/c1-12-5-7-15-9-14(6-8-16(15)18-12)10-17-13(2)11-19(3)4/h5-9,13,17H,10-11H2,1-4H3
InChIKeySTKPRGDHLBNWOO-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393
N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 105378336
2-N-[(3,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945359
2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944857
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378594
(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 105378592
1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine
CID 105378496
1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
CID 82939144
2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945293

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine (CID 105378632) is 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine is Cc1ccc2cc(CNC(C)CN(C)C)ccc2n1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine?
The InChIKey is STKPRGDHLBNWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-5-7-15-9-14(6-8-16(15)18-12)10-17-13(2)11-19(3)4/h5-9,13,17H,10-11H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 105378632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).