N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine

C15H29N3 — CID 114139714

IUPACN'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
SMILESCCCn1cccc1CNCCCN(C)C(C)C
InChIInChI=1S/C15H29N3/c1-5-10-18-12-6-8-15(18)13-16-9-7-11-17(4)14(2)3/h6,8,12,14,16H,5,7,9-11,13H2,1-4H3
InChIKeyQLQAJRKZCHHPHO-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.72
Rot. Bonds9

About N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine (PubChem CID 114139714) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
PubChem CID114139714
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
SMILESCCCn1cccc1CNCCCN(C)C(C)C
InChIInChI=1S/C15H29N3/c1-5-10-18-12-6-8-15(18)13-16-9-7-11-17(4)14(2)3/h6,8,12,14,16H,5,7,9-11,13H2,1-4H3
InChIKeyQLQAJRKZCHHPHO-UHFFFAOYSA-N
XLogP2.72
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-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

N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine
CID 66412673
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
CID 66413467
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
CID 66443821
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403728

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine (CID 114139714) is N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine is CCCn1cccc1CNCCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is QLQAJRKZCHHPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-10-18-12-6-8-15(18)13-16-9-7-11-17(4)14(2)3/h6,8,12,14,16H,5,7,9-11,13H2,1-4H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 251.42 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 114139714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).