N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine

C14H30N2O — CID 103227315

IUPACN-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)N1CC(C)CC1C
InChIInChI=1S/C14H30N2O/c1-11-7-12(2)16(9-11)13(10-17-6)8-15-14(3,4)5/h11-13,15H,7-10H2,1-6H3
InChIKeyNIYYYUMQLVVBOO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine

N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine (PubChem CID 103227315) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
PubChem CID103227315
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)N1CC(C)CC1C
InChIInChI=1S/C14H30N2O/c1-11-7-12(2)16(9-11)13(10-17-6)8-15-14(3,4)5/h11-13,15H,7-10H2,1-6H3
InChIKeyNIYYYUMQLVVBOO-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103227314
2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-amine
CID 103227319
2-(2,4-dimethylpiperidin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103225963
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227144
2-(2,5-dimethylpiperidin-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226831
N-[2-(4,4-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103226367
N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 103227214
1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 103226503
1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine
CID 103226843
3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 103225175
3-methoxy-N-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 103225220
N-[2-(2,5-dimethylmorpholin-4-yl)-3-methoxypropyl]cyclopropanamine
CID 103225679

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine (CID 103227315) is N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine is COCC(CNC(C)(C)C)N1CC(C)CC1C.
What is the InChIKey of N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine?
The InChIKey is NIYYYUMQLVVBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11-7-12(2)16(9-11)13(10-17-6)8-15-14(3,4)5/h11-13,15H,7-10H2,1-6H3.
What are the key properties of N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine?
N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103227315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).