2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine

C13H23N3 — CID 103387090

IUPAC2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
SMILESCC(CN)NCCCN(C)c1ccccc1
InChIInChI=1S/C13H23N3/c1-12(11-14)15-9-6-10-16(2)13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11,14H2,1-2H3
InChIKeySBSJXLIDDMKUQJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.45
Rot. Bonds7

About 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine

2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine (PubChem CID 103387090) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
PubChem CID103387090
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
SMILESCC(CN)NCCCN(C)c1ccccc1
InChIInChI=1S/C13H23N3/c1-12(11-14)15-9-6-10-16(2)13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11,14H2,1-2H3
InChIKeySBSJXLIDDMKUQJ-UHFFFAOYSA-N
XLogP1.45
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 43192316
2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide
CID 43089243
N-heptan-3-yl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63946266
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol
CID 43192320
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43089232
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 60694773
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
CID 43089244
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
CID 61483583

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine?
The IUPAC name of 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine (CID 103387090) is 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine is CC(CN)NCCCN(C)c1ccccc1.
What is the InChIKey of 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine?
The InChIKey is SBSJXLIDDMKUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(11-14)15-9-6-10-16(2)13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11,14H2,1-2H3.
What are the key properties of 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine?
2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine is sourced from PubChem (CID 103387090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).