N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine

C14H30N2 — CID 79184555

IUPACN-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)CN1CC(C)C(C)C1
InChIInChI=1S/C14H30N2/c1-11(7-15-14(4,5)6)8-16-9-12(2)13(3)10-16/h11-13,15H,7-10H2,1-6H3
InChIKeyURYXUKPOVYCLOE-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.60
Rot. Bonds4

About N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine

N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine (PubChem CID 79184555) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine
PubChem CID79184555
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)CN1CC(C)C(C)C1
InChIInChI=1S/C14H30N2/c1-11(7-15-14(4,5)6)8-16-9-12(2)13(3)10-16/h11-13,15H,7-10H2,1-6H3
InChIKeyURYXUKPOVYCLOE-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine
CID 55070199
N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
CID 62433993
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
N-tert-butyl-4-(3,4-dimethylpyrrolidin-1-yl)butan-1-amine
CID 79184508
N-tert-butyl-2,5,5-trimethylhexan-1-amine
CID 62529296
3-(3,5-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62423056
1-[2-methyl-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106673575
3-methyl-1-[2-methyl-3-(methylamino)propyl]piperidin-4-ol
CID 114681091
N-tert-butyl-3-(2,3-dimethylpiperidin-1-yl)butan-1-amine
CID 62413689
N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 170276142
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 79183944
2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114538952

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine (CID 79184555) is N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine is CC(CNC(C)(C)C)CN1CC(C)C(C)C1.
What is the InChIKey of N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine?
The InChIKey is URYXUKPOVYCLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(7-15-14(4,5)6)8-16-9-12(2)13(3)10-16/h11-13,15H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine?
N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 79184555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).