N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine

C20H29N3 — CID 142725832

IUPACN-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine
SMILESCCCN(CCC)CC(NC)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H29N3/c1-4-13-23(14-5-2)16-20(21-3)18-10-8-17(9-11-18)19-7-6-12-22-15-19/h6-12,15,20-21H,4-5,13-14,16H2,1-3H3
InChIKeyUZIHJPGRMZPLQX-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.13
Rot. Bonds9

About N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine

N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine (PubChem CID 142725832) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine
PubChem CID142725832
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine
SMILESCCCN(CCC)CC(NC)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H29N3/c1-4-13-23(14-5-2)16-20(21-3)18-10-8-17(9-11-18)19-7-6-12-22-15-19/h6-12,15,20-21H,4-5,13-14,16H2,1-3H3
InChIKeyUZIHJPGRMZPLQX-UHFFFAOYSA-N
XLogP4.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine
CID 113447308
2-(dipropylamino)-1-(4-phenylphenyl)ethanol
CID 82215884
3-azulen-6-ylpyridine
CID 86232079
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
N-methyl-1-[4-(4-methyl-3-pyridinyl)phenyl]propan-1-amine
CID 66274011
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
CID 97334731
3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine
CID 145116291
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine (CID 142725832) is N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine is CCCN(CCC)CC(NC)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine?
The InChIKey is UZIHJPGRMZPLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-4-13-23(14-5-2)16-20(21-3)18-10-8-17(9-11-18)19-7-6-12-22-15-19/h6-12,15,20-21H,4-5,13-14,16H2,1-3H3.
What are the key properties of N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine?
N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine has a molecular weight of 311.47 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N',N'-dipropyl-1-(4-pyridin-3-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 142725832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).