(4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine

C9H16N2 — CID 163676967

IUPAC(4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine
SMILESCC(C)N1C[C@H]2CC1=C[C@H]2N
InChIInChI=1S/C9H16N2/c1-6(2)11-5-7-3-8(11)4-9(7)10/h4,6-7,9H,3,5,10H2,1-2H3/t7-,9-/m1/s1
InChIKeyJHNBHOCJHLVPIG-VXNVDRBHSA-N
MW152.24 g/mol
LogP0.94
Rot. Bonds1

About (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine

(4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine (PubChem CID 163676967) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine.

Molecular Properties

Compound Name(4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine
PubChem CID163676967
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine
SMILESCC(C)N1C[C@H]2CC1=C[C@H]2N
InChIInChI=1S/C9H16N2/c1-6(2)11-5-7-3-8(11)4-9(7)10/h4,6-7,9H,3,5,10H2,1-2H3/t7-,9-/m1/s1
InChIKeyJHNBHOCJHLVPIG-VXNVDRBHSA-N
XLogP0.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine?
The IUPAC name of (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine (CID 163676967) is (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine.
What is the SMILES notation for (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine?
The canonical SMILES for (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine is CC(C)N1C[C@H]2CC1=C[C@H]2N.
What is the InChIKey of (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine?
The InChIKey is JHNBHOCJHLVPIG-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)11-5-7-3-8(11)4-9(7)10/h4,6-7,9H,3,5,10H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine?
(4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine has a molecular weight of 152.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine is sourced from PubChem (CID 163676967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).