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

C12H27N3 — CID 82937432

IUPAC1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine
SMILESCC(CC1CCCN1)NC(C)CN(C)C
InChIInChI=1S/C12H27N3/c1-10(8-12-6-5-7-13-12)14-11(2)9-15(3)4/h10-14H,5-9H2,1-4H3
InChIKeyGBPVGOIAYIGHDU-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.06
Rot. Bonds6

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

1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine (PubChem CID 82937432) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine
PubChem CID82937432
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine
SMILESCC(CC1CCCN1)NC(C)CN(C)C
InChIInChI=1S/C12H27N3/c1-10(8-12-6-5-7-13-12)14-11(2)9-15(3)4/h10-14H,5-9H2,1-4H3
InChIKeyGBPVGOIAYIGHDU-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-trimethyl-2-N-(1-piperidin-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79538875
2-N-[1-(azepan-2-yl)propan-2-yl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79560887
N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81386567
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79540937
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
3-methyl-N-(1-piperidin-2-ylpropan-2-yl)pentan-2-amine
CID 79539602
4,4-dimethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79541757
N-[1-(azepan-2-yl)propan-2-yl]-4-methylsulfanylbutan-2-amine
CID 113477132
2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine (CID 82937432) is 1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine is CC(CC1CCCN1)NC(C)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine?
The InChIKey is GBPVGOIAYIGHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(8-12-6-5-7-13-12)14-11(2)9-15(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 82937432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).