4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine

C14H28N2 — CID 62435119

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine
SMILESCC(C)(C)NCCCCN1CC2CCC1C2
InChIInChI=1S/C14H28N2/c1-14(2,3)15-8-4-5-9-16-11-12-6-7-13(16)10-12/h12-13,15H,4-11H2,1-3H3
InChIKeyCVPMMKVDMIBXDK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds5

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine

4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine (PubChem CID 62435119) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine
PubChem CID62435119
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine
SMILESCC(C)(C)NCCCCN1CC2CCC1C2
InChIInChI=1S/C14H28N2/c1-14(2,3)15-8-4-5-9-16-11-12-6-7-13(16)10-12/h12-13,15H,4-11H2,1-3H3
InChIKeyCVPMMKVDMIBXDK-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine (CID 62435119) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine is CC(C)(C)NCCCCN1CC2CCC1C2.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine?
The InChIKey is CVPMMKVDMIBXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2,3)15-8-4-5-9-16-11-12-6-7-13(16)10-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine is sourced from PubChem (CID 62435119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).