2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine

C18H27N3 — CID 79662734

IUPAC2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
SMILESCCCN(Cc1ccnc2ccccc12)CC(C)(C)CN
InChIInChI=1S/C18H27N3/c1-4-11-21(14-18(2,3)13-19)12-15-9-10-20-17-8-6-5-7-16(15)17/h5-10H,4,11-14,19H2,1-3H3
InChIKeyMQEYRQCBQZDPIO-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.43
Rot. Bonds7

About 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine

2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine (PubChem CID 79662734) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
PubChem CID79662734
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
SMILESCCCN(Cc1ccnc2ccccc12)CC(C)(C)CN
InChIInChI=1S/C18H27N3/c1-4-11-21(14-18(2,3)13-19)12-15-9-10-20-17-8-6-5-7-16(15)17/h5-10H,4,11-14,19H2,1-3H3
InChIKeyMQEYRQCBQZDPIO-UHFFFAOYSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-N-propyl-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 79234896
2,2-dimethyl-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 79668381
N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79659974
2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
CID 80680315
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79234831
2,2-dimethyl-N'-[(2-nitrophenyl)methyl]-N'-propylpropane-1,3-diamine
CID 79667471
N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668044
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'-pentan-3-yl-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
CID 79240886
2,2-dimethyl-N'-propyl-N'-[(4-trimethylsilylphenyl)methyl]propane-1,3-diamine
CID 103438203
2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 79661265

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine (CID 79662734) is 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine is CCCN(Cc1ccnc2ccccc12)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is MQEYRQCBQZDPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-11-21(14-18(2,3)13-19)12-15-9-10-20-17-8-6-5-7-16(15)17/h5-10H,4,11-14,19H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine?
2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 285.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 79662734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).