2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine

C14H30N2 — CID 62512074

IUPAC2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCC(C)(C)N1CCC(CNCC(C)C)C1
InChIInChI=1S/C14H30N2/c1-6-14(4,5)16-8-7-13(11-16)10-15-9-12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyPZDTVJMBQIBYON-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 62512074) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID62512074
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCC(C)(C)N1CCC(CNCC(C)C)C1
InChIInChI=1S/C14H30N2/c1-6-14(4,5)16-8-7-13(11-16)10-15-9-12(2)3/h12-13,15H,6-11H2,1-5H3
InChIKeyPZDTVJMBQIBYON-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
N,N,2-trimethyl-1-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 55081442
N-[[1-(3-methylpentan-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 106329245
2-methyl-N-[[1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 79358955
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081632
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512945
3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
CID 155259857

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 62512074) is 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine is CCC(C)(C)N1CCC(CNCC(C)C)C1.
What is the InChIKey of 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is PZDTVJMBQIBYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14(4,5)16-8-7-13(11-16)10-15-9-12(2)3/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62512074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).