[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine

C16H26N2 — CID 117368988

IUPAC[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(C(C)C)cc1C1CC(CN)CN1C
InChIInChI=1S/C16H26N2/c1-11(2)14-6-5-12(3)15(8-14)16-7-13(9-17)10-18(16)4/h5-6,8,11,13,16H,7,9-10,17H2,1-4H3
InChIKeyLJZRBFHLHMGOEP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds3

About [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine

[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 117368988) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID117368988
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(C(C)C)cc1C1CC(CN)CN1C
InChIInChI=1S/C16H26N2/c1-11(2)14-6-5-12(3)15(8-14)16-7-13(9-17)10-18(16)4/h5-6,8,11,13,16H,7,9-10,17H2,1-4H3
InChIKeyLJZRBFHLHMGOEP-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine (CID 117368988) is [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine is Cc1ccc(C(C)C)cc1C1CC(CN)CN1C.
What is the InChIKey of [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is LJZRBFHLHMGOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11(2)14-6-5-12(3)15(8-14)16-7-13(9-17)10-18(16)4/h5-6,8,11,13,16H,7,9-10,17H2,1-4H3.
What are the key properties of [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117368988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).