1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine

C15H32N2 — CID 114868388

IUPAC1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(CC(C)C)CC(C)C)C1
InChIInChI=1S/C15H32N2/c1-12(2)8-15(9-13(3)4)17-7-6-14(11-17)10-16-5/h12-16H,6-11H2,1-5H3
InChIKeyGJCXEACQBRHASP-UHFFFAOYSA-N
MW240.44 g/mol
LogP2.99
Rot. Bonds7

About 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 114868388) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID114868388
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(CC(C)C)CC(C)C)C1
InChIInChI=1S/C15H32N2/c1-12(2)8-15(9-13(3)4)17-7-6-14(11-17)10-16-5/h12-16H,6-11H2,1-5H3
InChIKeyGJCXEACQBRHASP-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Methylpropyl)pyrrolidine
CID 3613277
2-Isobutylpyrrolidine hydrochloride
CID 17749743
2-(3-Methylbutyl)pyrrolidine
CID 21061949
(2R)-2-isobutylpyrrolidine hydrochloride
CID 67027268
2-(S)-Isobutyl-pyrrolidine Hydrochloride
CID 44889805
2-Methyl-5-(propan-2-YL)pyrrolidine
CID 14316442
2-n-Propyl-4-methylpyrrolidine
CID 55287516
1-Methyl-2-pyrrolidin-3-ylpyrrolidine
CID 82416480
N-(2-fluoroethyl)-N-methyl-2-(4-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 169859003
N-(2-fluoroethyl)-N-methyl-2-(3-methylpyrrolidin-2-yl)ethanamine
CID 172335306
N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176601313
N-(2-fluoroethyl)-N-[2-(3-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176602023

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 114868388) is 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(C(CC(C)C)CC(C)C)C1.
What is the InChIKey of 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is GJCXEACQBRHASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12(2)8-15(9-13(3)4)17-7-6-14(11-17)10-16-5/h12-16H,6-11H2,1-5H3.
What are the key properties of 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 240.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylheptan-4-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114868388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).