2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine

C13H26N2 — CID 79056050

IUPAC2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine
SMILESC=C(CC)CC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C13H26N2/c1-5-11(2)10-12(14)13(3,4)15-8-6-7-9-15/h12H,2,5-10,14H2,1,3-4H3
InChIKeySLDJWRHXYCQOMB-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.54
Rot. Bonds5

About 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine

2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine (PubChem CID 79056050) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine.

Molecular Properties

Compound Name2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine
PubChem CID79056050
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine
SMILESC=C(CC)CC(N)C(C)(C)N1CCCC1
InChIInChI=1S/C13H26N2/c1-5-11(2)10-12(14)13(3,4)15-8-6-7-9-15/h12H,2,5-10,14H2,1,3-4H3
InChIKeySLDJWRHXYCQOMB-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine?
The IUPAC name of 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine (CID 79056050) is 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine.
What is the SMILES notation for 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine?
The canonical SMILES for 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine is C=C(CC)CC(N)C(C)(C)N1CCCC1.
What is the InChIKey of 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine?
The InChIKey is SLDJWRHXYCQOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-11(2)10-12(14)13(3,4)15-8-6-7-9-15/h12H,2,5-10,14H2,1,3-4H3.
What are the key properties of 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine?
2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-2-pyrrolidin-1-ylheptan-3-amine is sourced from PubChem (CID 79056050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).