5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine

C18H23N3 — CID 43782583

IUPAC5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCc1ccc(C(Nc2ccc(N(C)C)nc2)C2CC2)cc1
InChIInChI=1S/C18H23N3/c1-13-4-6-14(7-5-13)18(15-8-9-15)20-16-10-11-17(19-12-16)21(2)3/h4-7,10-12,15,18,20H,8-9H2,1-3H3
InChIKeyLNKWOULGLRKGSN-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.02
Rot. Bonds5

About 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 43782583) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID43782583
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCc1ccc(C(Nc2ccc(N(C)C)nc2)C2CC2)cc1
InChIInChI=1S/C18H23N3/c1-13-4-6-14(7-5-13)18(15-8-9-15)20-16-10-11-17(19-12-16)21(2)3/h4-7,10-12,15,18,20H,8-9H2,1-3H3
InChIKeyLNKWOULGLRKGSN-UHFFFAOYSA-N
XLogP4.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782597
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759158
2-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 106312117
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol
CID 43790697
1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847899
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline
CID 43757286
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
CID 43757802

Frequently Asked Questions

What is the IUPAC name of 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 43782583) is 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine is Cc1ccc(C(Nc2ccc(N(C)C)nc2)C2CC2)cc1.
What is the InChIKey of 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is LNKWOULGLRKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-4-6-14(7-5-13)18(15-8-9-15)20-16-10-11-17(19-12-16)21(2)3/h4-7,10-12,15,18,20H,8-9H2,1-3H3.
What are the key properties of 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 281.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 43782583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).