N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine

C16H23N3 — CID 54984195

IUPACN-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CCNC)Cc1cccc2cccnc12
InChIInChI=1S/C16H23N3/c1-3-11-19(12-10-17-2)13-15-7-4-6-14-8-5-9-18-16(14)15/h4-9,17H,3,10-13H2,1-2H3
InChIKeyNCIVYZPMJWFCFD-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.67
Rot. Bonds7

About N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine

N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine (PubChem CID 54984195) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine
PubChem CID54984195
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CCNC)Cc1cccc2cccnc12
InChIInChI=1S/C16H23N3/c1-3-11-19(12-10-17-2)13-15-7-4-6-14-8-5-9-18-16(14)15/h4-9,17H,3,10-13H2,1-2H3
InChIKeyNCIVYZPMJWFCFD-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 54899417
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 107489150
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
8-but-2-ynylquinoline
CID 134164519
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine (CID 54984195) is N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine is CCCN(CCNC)Cc1cccc2cccnc12.
What is the InChIKey of N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine?
The InChIKey is NCIVYZPMJWFCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-11-19(12-10-17-2)13-15-7-4-6-14-8-5-9-18-16(14)15/h4-9,17H,3,10-13H2,1-2H3.
What are the key properties of N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine?
N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54984195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).