N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine

C18H30N2 — CID 62581633

IUPACN-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)cc(CN2CCCC2CNC(C)(C)C)c1
InChIInChI=1S/C18H30N2/c1-14-9-15(2)11-16(10-14)13-20-8-6-7-17(20)12-19-18(3,4)5/h9-11,17,19H,6-8,12-13H2,1-5H3
InChIKeyHEBYIOHASJYIBF-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.66
Rot. Bonds4

About N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62581633) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62581633
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)cc(CN2CCCC2CNC(C)(C)C)c1
InChIInChI=1S/C18H30N2/c1-14-9-15(2)11-16(10-14)13-20-8-6-7-17(20)12-19-18(3,4)5/h9-11,17,19H,6-8,12-13H2,1-5H3
InChIKeyHEBYIOHASJYIBF-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 102879282
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
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
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63758972
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 55092364
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65322729
2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580597
N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581816

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine (CID 62581633) is N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine is Cc1cc(C)cc(CN2CCCC2CNC(C)(C)C)c1.
What is the InChIKey of N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HEBYIOHASJYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-9-15(2)11-16(10-14)13-20-8-6-7-17(20)12-19-18(3,4)5/h9-11,17,19H,6-8,12-13H2,1-5H3.
What are the key properties of N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62581633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).