3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine

C14H18N4 — CID 175283215

IUPAC3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESNCC(N)(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C14H18N4/c15-11-14(16,9-12-1-5-17-6-2-12)10-13-3-7-18-8-4-13/h1-8H,9-11,15-16H2
InChIKeySMVVEHJRCNSZEK-UHFFFAOYSA-N
MW242.33 g/mol
LogP0.92
Rot. Bonds5

About 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine

3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine (PubChem CID 175283215) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine
PubChem CID175283215
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESNCC(N)(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C14H18N4/c15-11-14(16,9-12-1-5-17-6-2-12)10-13-3-7-18-8-4-13/h1-8H,9-11,15-16H2
InChIKeySMVVEHJRCNSZEK-UHFFFAOYSA-N
XLogP0.92
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-pyridin-4-ylpropan-2-amine;hydrochloride
CID 141017506
4-(2,2-dimethylpropyl)pyridine
CID 22960904
1-(4-fluorophenyl)-2-methyl-3-pyridin-4-ylpropan-2-amine
CID 114833720
2-(3,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 117049081
(2S)-2-amino-2,3,3-trimethyl-4-pyridin-4-ylbutanamide
CID 171044369
2-methyl-2-(pyridin-4-ylmethoxy)propan-1-amine
CID 65053502
2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 117049073
2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 117049092
ethyl 2-(aminomethyl)-3-methyl-2-(pyridin-4-ylmethyl)butanoate
CID 106488674
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine (CID 175283215) is 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine is NCC(N)(Cc1ccncc1)Cc1ccncc1.
What is the InChIKey of 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is SMVVEHJRCNSZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-11-14(16,9-12-1-5-17-6-2-12)10-13-3-7-18-8-4-13/h1-8H,9-11,15-16H2.
What are the key properties of 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine?
3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-2-(pyridin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 175283215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).