N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride

C17H29Cl2N3O — CID 67663946

IUPACN',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride
SMILESCCN(CC)CCCNc1cc(C)c2ccccc2n1.Cl.Cl.O
InChIInChI=1S/C17H25N3.2ClH.H2O/c1-4-20(5-2)12-8-11-18-17-13-14(3)15-9-6-7-10-16(15)19-17;;;/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,18,19);2*1H;1H2
InChIKeyZCUDZNMOSOKTSM-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.71
Rot. Bonds7

About N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride

N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride (PubChem CID 67663946) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride
PubChem CID67663946
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC NameN',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride
SMILESCCN(CC)CCCNc1cc(C)c2ccccc2n1.Cl.Cl.O
InChIInChI=1S/C17H25N3.2ClH.H2O/c1-4-20(5-2)12-8-11-18-17-13-14(3)15-9-6-7-10-16(15)19-17;;;/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,18,19);2*1H;1H2
InChIKeyZCUDZNMOSOKTSM-UHFFFAOYSA-N
XLogP3.71
TPSA59.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine);hydrate;tetrahydrochloride
CID 67663947
N-ethyl-N-[3-[(4-methylquinolin-2-yl)amino]propyl]methanesulfonamide
CID 60521104
N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine
CID 134130331
(1R)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
CID 8850849
(1S)-N,N-dimethyl-N'-(4-methylquinolin-2-yl)-1-phenylethane-1,2-diamine
CID 8850851
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
CID 80938208
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391
N'-(2-chloroethyl)-N'-ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;hydrate;dihydrochloride
CID 21153756
N',N'-diethyl-N-[2-(4-nitrophenyl)quinazolin-4-yl]propane-1,3-diamine;hydrochloride
CID 2792715
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride?
The IUPAC name of N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride (CID 67663946) is N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride.
What is the SMILES notation for N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride?
The canonical SMILES for N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride is CCN(CC)CCCNc1cc(C)c2ccccc2n1.Cl.Cl.O.
What is the InChIKey of N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride?
The InChIKey is ZCUDZNMOSOKTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.2ClH.H2O/c1-4-20(5-2)12-8-11-18-17-13-14(3)15-9-6-7-10-16(15)19-17;;;/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,18,19);2*1H;1H2.
What are the key properties of N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride?
N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride is sourced from PubChem (CID 67663946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).