N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine

C15H30N2 — CID 18727337

IUPACN-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine
SMILESCCNC1(C)C(C)(C)N2CC(C)C1(C)C2(C)C
InChIInChI=1S/C15H30N2/c1-9-16-15(8)13(5,6)17-10-11(2)14(15,7)12(17,3)4/h11,16H,9-10H2,1-8H3
InChIKeyKXOXPHGVBOTMSP-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds2

About N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine

N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine (PubChem CID 18727337) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine
PubChem CID18727337
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine
SMILESCCNC1(C)C(C)(C)N2CC(C)C1(C)C2(C)C
InChIInChI=1S/C15H30N2/c1-9-16-15(8)13(5,6)17-10-11(2)14(15,7)12(17,3)4/h11,16H,9-10H2,1-8H3
InChIKeyKXOXPHGVBOTMSP-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine?
The IUPAC name of N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine (CID 18727337) is N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine.
What is the SMILES notation for N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine?
The canonical SMILES for N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine is CCNC1(C)C(C)(C)N2CC(C)C1(C)C2(C)C.
What is the InChIKey of N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine?
The InChIKey is KXOXPHGVBOTMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-9-16-15(8)13(5,6)17-10-11(2)14(15,7)12(17,3)4/h11,16H,9-10H2,1-8H3.
What are the key properties of N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine?
N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,4,5,7,7-heptamethyl-1-azabicyclo[2.2.1]heptan-3-amine is sourced from PubChem (CID 18727337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).