1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea

C14H24N4O — CID 79153559

IUPAC1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)C(=O)N(CCCN)Cc1cccnc1
InChIInChI=1S/C14H24N4O/c1-3-17(4-2)14(19)18(10-6-8-15)12-13-7-5-9-16-11-13/h5,7,9,11H,3-4,6,8,10,12,15H2,1-2H3
InChIKeySGRWGMCRYTYHFV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds7

About 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea

1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 79153559) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
PubChem CID79153559
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)C(=O)N(CCCN)Cc1cccnc1
InChIInChI=1S/C14H24N4O/c1-3-17(4-2)14(19)18(10-6-8-15)12-13-7-5-9-16-11-13/h5,7,9,11H,3-4,6,8,10,12,15H2,1-2H3
InChIKeySGRWGMCRYTYHFV-UHFFFAOYSA-N
XLogP1.69
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 107000128
N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 79160812
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074
3-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62670710
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
CID 81083766
1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 110360929
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea (CID 79153559) is 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea is CCN(CC)C(=O)N(CCCN)Cc1cccnc1.
What is the InChIKey of 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is SGRWGMCRYTYHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-17(4-2)14(19)18(10-6-8-15)12-13-7-5-9-16-11-13/h5,7,9,11H,3-4,6,8,10,12,15H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea?
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 264.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 79153559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).