(3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine

C13H28N2 — CID 139373164

IUPAC(3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine
SMILESCCCCC(C)(CC)N1CC[C@@H](NC)C1
InChIInChI=1S/C13H28N2/c1-5-7-9-13(3,6-2)15-10-8-12(11-15)14-4/h12,14H,5-11H2,1-4H3/t12-,13?/m1/s1
InChIKeyXGYCYRJISCUOKM-PZORYLMUSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds6

About (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine

(3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine (PubChem CID 139373164) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine
PubChem CID139373164
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name(3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine
SMILESCCCCC(C)(CC)N1CC[C@@H](NC)C1
InChIInChI=1S/C13H28N2/c1-5-7-9-13(3,6-2)15-10-8-12(11-15)14-4/h12,14H,5-11H2,1-4H3/t12-,13?/m1/s1
InChIKeyXGYCYRJISCUOKM-PZORYLMUSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine (CID 139373164) is (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine is CCCCC(C)(CC)N1CC[C@@H](NC)C1.
What is the InChIKey of (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine?
The InChIKey is XGYCYRJISCUOKM-PZORYLMUSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-7-9-13(3,6-2)15-10-8-12(11-15)14-4/h12,14H,5-11H2,1-4H3/t12-,13?/m1/s1.
What are the key properties of (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine?
(3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(3-methylheptan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 139373164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).