1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine

C14H28N2 — CID 62624858

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCN1CC2CCC1C2)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-14(2,3)13(15-4)7-8-16-10-11-5-6-12(16)9-11/h11-13,15H,5-10H2,1-4H3
InChIKeyDMFRMTNTQPEGNS-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds4

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine

1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine (PubChem CID 62624858) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine
PubChem CID62624858
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCN1CC2CCC1C2)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-14(2,3)13(15-4)7-8-16-10-11-5-6-12(16)9-11/h11-13,15H,5-10H2,1-4H3
InChIKeyDMFRMTNTQPEGNS-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine (CID 62624858) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine is CNC(CCN1CC2CCC1C2)C(C)(C)C.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine?
The InChIKey is DMFRMTNTQPEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2,3)13(15-4)7-8-16-10-11-5-6-12(16)9-11/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 62624858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).