2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine

C15H30N2 — CID 123611869

IUPAC2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine
SMILESC=C1CCCN1C(CC(C)(C)N)C(C)(C)CC
InChIInChI=1S/C15H30N2/c1-7-14(3,4)13(11-15(5,6)16)17-10-8-9-12(17)2/h13H,2,7-11,16H2,1,3-6H3
InChIKeyIAJGFVDDKUWEMN-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.53
Rot. Bonds5

About 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine

2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine (PubChem CID 123611869) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine.

Molecular Properties

Compound Name2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine
PubChem CID123611869
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine
SMILESC=C1CCCN1C(CC(C)(C)N)C(C)(C)CC
InChIInChI=1S/C15H30N2/c1-7-14(3,4)13(11-15(5,6)16)17-10-8-9-12(17)2/h13H,2,7-11,16H2,1,3-6H3
InChIKeyIAJGFVDDKUWEMN-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine?
The IUPAC name of 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine (CID 123611869) is 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine.
What is the SMILES notation for 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine?
The canonical SMILES for 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine is C=C1CCCN1C(CC(C)(C)N)C(C)(C)CC.
What is the InChIKey of 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine?
The InChIKey is IAJGFVDDKUWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-14(3,4)13(11-15(5,6)16)17-10-8-9-12(17)2/h13H,2,7-11,16H2,1,3-6H3.
What are the key properties of 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine?
2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine has a molecular weight of 238.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4-(2-methylidenepyrrolidin-1-yl)heptan-2-amine is sourced from PubChem (CID 123611869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).