N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine

C16H26N2 — CID 115118911

IUPACN-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1cc(C)c(C)c(CN(C)C2CCNC2)c1C
InChIInChI=1S/C16H26N2/c1-11-8-12(2)14(4)16(13(11)3)10-18(5)15-6-7-17-9-15/h8,15,17H,6-7,9-10H2,1-5H3
InChIKeyGIBNZZGCTZJBFR-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.71
Rot. Bonds3

About N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine

N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 115118911) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
PubChem CID115118911
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1cc(C)c(C)c(CN(C)C2CCNC2)c1C
InChIInChI=1S/C16H26N2/c1-11-8-12(2)14(4)16(13(11)3)10-18(5)15-6-7-17-9-15/h8,15,17H,6-7,9-10H2,1-5H3
InChIKeyGIBNZZGCTZJBFR-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118959
N-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 55085534
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
CID 115118961
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922917
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 114321079
1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol
CID 63296957
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[(3-cyclopropylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 79984146
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine (CID 115118911) is N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine is Cc1cc(C)c(C)c(CN(C)C2CCNC2)c1C.
What is the InChIKey of N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is GIBNZZGCTZJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-8-12(2)14(4)16(13(11)3)10-18(5)15-6-7-17-9-15/h8,15,17H,6-7,9-10H2,1-5H3.
What are the key properties of N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine?
N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115118911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).