N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine

C13H29N3 — CID 176601232

IUPACN'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNCCN(CC1CC(C)(C)CN1)C(C)C
InChIInChI=1S/C13H29N3/c1-11(2)16(7-6-14-5)9-12-8-13(3,4)10-15-12/h11-12,14-15H,6-10H2,1-5H3
InChIKeyLUYBGEKWRUECGW-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.30
Rot. Bonds6

About N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine

N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 176601232) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID176601232
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNCCN(CC1CC(C)(C)CN1)C(C)C
InChIInChI=1S/C13H29N3/c1-11(2)16(7-6-14-5)9-12-8-13(3,4)10-15-12/h11-12,14-15H,6-10H2,1-5H3
InChIKeyLUYBGEKWRUECGW-UHFFFAOYSA-N
XLogP1.30
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
CID 176601761
N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 176601704
N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176600987
N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
CID 176601082
N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176601004
N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide
CID 106614697
N,N'-dimethyl-N'-(3,3,5,5-tetramethylcyclohexyl)ethane-1,2-diamine
CID 112682555
N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614633
ethane;N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142040763
2-iodo-4,4-dimethylpyrrolidine
CID 163758575
N'-(cyclopropylmethyl)-N-(3-methylbutan-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62556874
N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 114421199

Frequently Asked Questions

What is the IUPAC name of N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine (CID 176601232) is N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine is CNCCN(CC1CC(C)(C)CN1)C(C)C.
What is the InChIKey of N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is LUYBGEKWRUECGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)16(7-6-14-5)9-12-8-13(3,4)10-15-12/h11-12,14-15H,6-10H2,1-5H3.
What are the key properties of N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine?
N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 176601232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).