N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine

C11H25N3 — CID 63275885

IUPACN',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-10(6-12)7-14(3)9-11-4-5-13(2)8-11/h10-11H,4-9,12H2,1-3H3
InChIKeyOIBNTCZUDFFXGN-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.46
Rot. Bonds5

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

N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (PubChem CID 63275885) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
PubChem CID63275885
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-10(6-12)7-14(3)9-11-4-5-13(2)8-11/h10-11H,4-9,12H2,1-3H3
InChIKeyOIBNTCZUDFFXGN-UHFFFAOYSA-N
XLogP0.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276105
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171481
N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115272506
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64759351
1,1,1-trifluoro-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 63900629
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (CID 63275885) is N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is CC(CN)CN(C)CC1CCN(C)C1.
What is the InChIKey of N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The InChIKey is OIBNTCZUDFFXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(6-12)7-14(3)9-11-4-5-13(2)8-11/h10-11H,4-9,12H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63275885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).