2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine

C17H25N3 — CID 79234896

IUPAC2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
SMILESCCCN(Cc1ccnc2ccccc12)C(C)(C)CN
InChIInChI=1S/C17H25N3/c1-4-11-20(17(2,3)13-18)12-14-9-10-19-16-8-6-5-7-15(14)16/h5-10H,4,11-13,18H2,1-3H3
InChIKeyJYJOUJAMXANPHX-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.18
Rot. Bonds6

About 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine

2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine (PubChem CID 79234896) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
PubChem CID79234896
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
SMILESCCCN(Cc1ccnc2ccccc12)C(C)(C)CN
InChIInChI=1S/C17H25N3/c1-4-11-20(17(2,3)13-18)12-14-9-10-19-16-8-6-5-7-15(14)16/h5-10H,4,11-13,18H2,1-3H3
InChIKeyJYJOUJAMXANPHX-UHFFFAOYSA-N
XLogP3.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79662734
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79234831
N'-pentan-3-yl-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79240886
2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
CID 80680315
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79235712
3,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81014335
N'-propyl-N'-quinolin-4-ylethane-1,2-diamine
CID 55241600
2-chloro-N-methyl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 79240214
1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine
CID 79093124
3-[methyl(quinolin-4-ylmethyl)amino]propanimidamide
CID 79234905
4-[methyl(quinolin-4-ylmethyl)amino]butan-2-ol
CID 115883104
3-(quinolin-4-ylmethyl)hexan-3-ol
CID 114079980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine (CID 79234896) is 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine is CCCN(Cc1ccnc2ccccc12)C(C)(C)CN.
What is the InChIKey of 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is JYJOUJAMXANPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-11-20(17(2,3)13-18)12-14-9-10-19-16-8-6-5-7-15(14)16/h5-10H,4,11-13,18H2,1-3H3.
What are the key properties of 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine?
2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 271.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 79234896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).