N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine

C15H32N2 — CID 62581816

IUPACN-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCN1CCCC1CNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-14(2,3)9-11-17-10-7-8-13(17)12-16-15(4,5)6/h13,16H,7-12H2,1-6H3
InChIKeyRUQLNVVLPGJTHF-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.28
Rot. Bonds4

About N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62581816) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62581816
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC NameN-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCN1CCCC1CNC(C)(C)C
InChIInChI=1S/C15H32N2/c1-14(2,3)9-11-17-10-7-8-13(17)12-16-15(4,5)6/h13,16H,7-12H2,1-6H3
InChIKeyRUQLNVVLPGJTHF-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80675460
2-methyl-N-[[1-(2-morpholin-4-ylethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581128
2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580562
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581633
N-[[1-(ethoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65366916
2-methyl-N-[[1-(2-methylbutyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580952
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
2-methyl-N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 63528363
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62580916
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine (CID 62581816) is N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)CCN1CCCC1CNC(C)(C)C.
What is the InChIKey of N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RUQLNVVLPGJTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2,3)9-11-17-10-7-8-13(17)12-16-15(4,5)6/h13,16H,7-12H2,1-6H3.
What are the key properties of N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 240.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62581816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).