[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine

C19H32N2 — CID 115486092

IUPAC[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1CN1CC(CN)CC1C
InChIInChI=1S/C19H32N2/c1-13-7-17(19(4,5)6)8-14(2)18(13)12-21-11-16(10-20)9-15(21)3/h7-8,15-16H,9-12,20H2,1-6H3
InChIKeyOCDRWSUSDOTSGE-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.77
Rot. Bonds3

About [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 115486092) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID115486092
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1CN1CC(CN)CC1C
InChIInChI=1S/C19H32N2/c1-13-7-17(19(4,5)6)8-14(2)18(13)12-21-11-16(10-20)9-15(21)3/h7-8,15-16H,9-12,20H2,1-6H3
InChIKeyOCDRWSUSDOTSGE-UHFFFAOYSA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120842986
[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486086
[1-[(2,6-difluoro-3-iodophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120843011
[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486413
[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486401
(2R)-1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-methylpiperazine
CID 82761273
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115486200
[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120842955
[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486083
(5-methyl-1-propylpyrrolidin-3-yl)methanamine
CID 115486103
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120843077

Frequently Asked Questions

What is the IUPAC name of [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine (CID 115486092) is [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine is Cc1cc(C(C)(C)C)cc(C)c1CN1CC(CN)CC1C.
What is the InChIKey of [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is OCDRWSUSDOTSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-13-7-17(19(4,5)6)8-14(2)18(13)12-21-11-16(10-20)9-15(21)3/h7-8,15-16H,9-12,20H2,1-6H3.
What are the key properties of [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 288.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).