N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

C14H31N3 — CID 176601004

IUPACN'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN(C)C)CC1NCCC1(C)C
InChIInChI=1S/C14H31N3/c1-12(2)17(10-9-16(5)6)11-13-14(3,4)7-8-15-13/h12-13,15H,7-11H2,1-6H3
InChIKeyKPXIDJPGNJMEBW-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds6

About N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 176601004) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID176601004
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN(C)C)CC1NCCC1(C)C
InChIInChI=1S/C14H31N3/c1-12(2)17(10-9-16(5)6)11-13-14(3,4)7-8-15-13/h12-13,15H,7-11H2,1-6H3
InChIKeyKPXIDJPGNJMEBW-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601165
3,3-dimethyl-2-(2-methylpropyl)pyrrolidine
CID 62753360
2-ethyl-3,3-dimethylpyrrolidine
CID 62352617
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 176601263
2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601617
N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176601232
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
CID 176600925
2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
CID 176601761
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine
CID 176601714
N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79842638
N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 114084405
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 82952605

Frequently Asked Questions

What is the IUPAC name of N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (CID 176601004) is N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN(C)C)CC1NCCC1(C)C.
What is the InChIKey of N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is KPXIDJPGNJMEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)17(10-9-16(5)6)11-13-14(3,4)7-8-15-13/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 176601004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).