N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine

C12H27N3 — CID 114525110

IUPACN',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
SMILESCC(CN1CCCC1)NCCCN(C)C
InChIInChI=1S/C12H27N3/c1-12(11-15-9-4-5-10-15)13-7-6-8-14(2)3/h12-13H,4-11H2,1-3H3
InChIKeyIBUWPOHVFIGTKQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds7

About N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine

N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine (PubChem CID 114525110) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
PubChem CID114525110
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
SMILESCC(CN1CCCC1)NCCCN(C)C
InChIInChI=1S/C12H27N3/c1-12(11-15-9-4-5-10-15)13-7-6-8-14(2)3/h12-13H,4-11H2,1-3H3
InChIKeyIBUWPOHVFIGTKQ-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
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

5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
CID 62228276
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
CID 43434982
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 65093417
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 104872007
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
5-(1-piperidin-1-ylpropan-2-ylamino)pentanamide
CID 114281596
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 54960254

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine (CID 114525110) is N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine is CC(CN1CCCC1)NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine?
The InChIKey is IBUWPOHVFIGTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(11-15-9-4-5-10-15)13-7-6-8-14(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 114525110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).