2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine

C13H29N3 — CID 79313498

IUPAC2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)N(C)CC1CCCN1C
InChIInChI=1S/C13H29N3/c1-5-8-14-10-12(2)16(4)11-13-7-6-9-15(13)3/h12-14H,5-11H2,1-4H3
InChIKeyXUKDTYUWBWUIPC-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

About 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine

2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine (PubChem CID 79313498) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
PubChem CID79313498
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)N(C)CC1CCCN1C
InChIInChI=1S/C13H29N3/c1-5-8-14-10-12(2)16(4)11-13-7-6-9-15(13)3/h12-14H,5-11H2,1-4H3
InChIKeyXUKDTYUWBWUIPC-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpentane-1,4-diamine
CID 79313502
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine
CID 79312802
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79312950
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659
2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 79314860
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106094880
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 79313405
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 79317831

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine (CID 79313498) is 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine is CCCNCC(C)N(C)CC1CCCN1C.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine?
The InChIKey is XUKDTYUWBWUIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-8-14-10-12(2)16(4)11-13-7-6-9-15(13)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine?
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 79313498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).